Molecules to CCND1 (P24385) Target Generated and Optimized

Molecules against Target CCND1

Uniprot ID: P24385

Other Name(s): CyclinD1, CyclinD1, Cyclin D1, Cyclin D1, CYCLIN D1

Assay:	Inhibitory concentration against Cyclin D1 (beta-catenin/TCF4 target gene) decreasing growth of human colorectal cancer cells
Type:	IC50
SMILES:	COC1=CC2=C(NC3=CC(OC)=C(Cl)C=C3Cl)C(=CN=C2C=C1OCCCN1CCN(C)CC1)C#N
Value:	=2.4uM
Source:	Human

Assay:	Concentration of the compound required for suppression of Cyclin D1 expression in human PC3 cell line; Range = 10-40 uM
Type:	Concentration
SMILES:	OC1=CC(O)=C2C(=O)C=C(OC2=C1)C3=CC=C(O)C(O)=C3
Value:	=40uM
Source:	Human

Assay:	Concentration of the compound required for reduction of Cyclin D1 expression in human DU145 cell line; Range = 150-200 uM
Type:	Concentration
SMILES:	[H]OC1=CC=C(C=C1OC)C2OC3=CC(=CC=C3O[C@@H]2CO)C4OC5=CC(O)=CC(O)=C5C(=O)[C@@H]4O
Value:	=200uM
Source:	Human

Assay:	Concentration of the compound required for inhibition of Cyclin D1 expression in human LNCaP cell line by IP and WB method; Range = 10-40 uM
Type:	Concentration
SMILES:	OC1=CC(O)=C2C(=O)C=C(OC2=C1)C3=CC=C(O)C(O)=C3
Value:	=40uM
Source:	Human

Assay:	Inhibitory concentration of compound against Cyclin D1 expressed in Escherichia coli BL21 (DE3) cells using biotinylated p21 (149-159)-DFYHSKRRLIF peptide
Type:	IC50
SMILES:	[H]N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O
Value:	=13uM
Source:

Assay:	Inhibitory concentration of compound against Cyclin D1 expressed in Escherichia coli BL21 (DE3) cells using biotinylated p21 (149-159)-DFYHSKRRLIF peptide
Type:	IC50
SMILES:	[H]N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(N)=O
Value:	>200uM
Source:

Assay:	Inhibitory concentration of compound against Cyclin D1 expressed in Escherichia coli BL21 (DE3) cells using biotinylated p21 (149-159)-DFYHSKRRLIF peptide
Type:	IC50
SMILES:	[H]N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(N)=O
Value:	=24uM
Source:

Assay:	Inhibitory concentration of compound against Cyclin D1 expressed in Escherichia coli BL21 (DE3) cells using biotinylated p21 (149-159)-DFYHSKRRLIF peptide
Type:	IC50
SMILES:	[H]N1CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Value:	>100uM
Source:

Assay:	Inhibitory concentration of compound against Cyclin D1 expressed in Escherichia coli BL21 (DE3) using biotinylated p21 (149-159)-DFYHSKRRLIF peptide
Type:	IC50
SMILES:	[H]N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O
Value:	=48uM
Source:

Assay:	Inhibitory concentration of compound against Cyclin D1 expressed in Escherichia coli BL21 (DE3) cells using biotinylated p21 (149-159)-DFYHSKRRLIF peptide
Type:	IC50
SMILES:	[H]N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(N)=O
Value:	=33uM
Source:

Assay:	Inhibitory concentration of compound against Cyclin D1 expressed in Escherichia coli BL21 (DE3) cells using biotinylated p21 (149-159)-DFYHSKRRLIF peptide
Type:	IC50
SMILES:	[H]N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Value:	>200uM
Source:

Assay:	Inhibitory concentration of the compound against cyclin D1 using biotinylated p21 peptide-DFYHSKRRLIF upon incubation for 30 min at 30 degree C in 50 mM HEPES, pH 7.4 using [gamma32P]ATP
Type:	IC50
SMILES:	[H]OC(=O)C[C@H](N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)[C@H](CCCN([H])\C(=N/[H])N([H])[H])N([H])C(=O)[C@H](CCCN([H])\C(=N\[H])N([H])[H])N([H])C(=O)[C@H](CCCCN([H])[H])N([H])C(=O)[C@@H](N([H])C(=O)[C@@H]1CCCN1[H])C(C)C)C(=O)N([H])[C@@H](CC(C)C)C(=O)O[H]
Value:	>100uM
Source:

Assay:	Inhibitory concentration of the compound against cyclin D1 using biotinylated p21 peptide-DFYHSKRRLIF upon incubation for 30 min at 30 degree C in 50 mM HEPES, pH 7.4 using [gamma32P]ATP
Type:	IC50
SMILES:	[H]OC[C@H](N([H])C(=O)[C@H](CC1=CN=CN1[H])N([H])[H])C(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N([H])[C@@H](CCCN([H])\C(=N\[H])N([H])[H])C(=O)N([H])[C@@H](CCCN([H])\C(=N/[H])N([H])[H])C(=O)N([H])[C@@H](CC(C)C)C(=O)N([H])[C@@H](CC(=O)O[H])C(=O)N([H])[C@@H](CC(C)C)C(=O)O[H]
Value:	>200uM
Source:

Assay:	Inhibitory concentration of the compound against cyclin D1 using biotinylated p21 peptide-DFYHSKRRLIF upon incubation for 30 min at 30 degree C in 50 mM HEPES, pH 7.4 using [gamma32P]ATP
Type:	IC50
SMILES:	[H]OC[C@H](N([H])C(=O)[C@H](CC1=CN=CN1[H])N([H])[H])C(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N([H])[C@@H](CCCN([H])\C(=N\[H])N([H])[H])C(=O)N([H])[C@@H](CCCN([H])\C(=N/[H])N([H])[H])C(=O)N([H])[C@@H](CC(C)C)C(=O)N([H])[C@@H](CC2=CC=CC=C2)C(=O)N([H])CC(=O)O[H]
Value:	>200uM
Source:

Assay:	Inhibitory concentration of the compound against cyclin D1 using biotinylated p21 peptide-DFYHSKRRLIF upon incubation for 30 min at 30 degree C in 50 mM HEPES, pH 7.4 using [gamma32P]ATP
Type:	IC50
SMILES:	[H]OC[C@H](N([H])[H])C(=O)N([H])[C@@H](C)C(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N([H])[C@@H](CCCN([H])\C(=N\[H])N([H])[H])C(=O)N([H])[C@@H](CCCN([H])\C(=N/[H])N([H])[H])C(=O)N([H])[C@@H](CC(C)C)C(=O)N([H])[C@@H](CC1=CC=CC=C1)C(=O)N([H])CC(=O)O[H]
Value:	=24uM
Source:

Assay:	Inhibitory concentration of the compound against cyclin D1 using biotinylated p21 peptide-DFYHSKRRLIF upon incubation for 30 min at 30 degree C in 50 mM HEPES, pH 7.4 using [gamma32P]ATP
Type:	IC50
SMILES:	[H]OC(=O)CN([H])C(=O)[C@H](CC1=CC=CC=C1)N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)[C@H](CCCN([H])\C(=N\[H])N([H])[H])N([H])C(=O)[C@H](CCCN([H])\C(=N/[H])N([H])[H])N([H])C(=O)[C@@H](C)N([H])C(=O)[C@@H](C)N([H])C(=O)[C@@H](CCCCN([H])[H])N([H])[H]
Value:	=134uM
Source:

Assay:	Inhibitory concentration of the compound against cyclin D1 using biotinylated p21 peptide-DFYHSKRRLIF upon incubation for 30 min at 30 degree C in 50 mM HEPES, pH 7.4 using [gamma32P]ATP
Type:	IC50
SMILES:	[H]OC(=O)CN([H])C(=O)[C@H](CC1=CC=CC=C1)N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)[C@H](CCCN([H])\C(=N/[H])N([H])[H])N([H])C(=O)[C@H](CCCN([H])\C(=N\[H])N([H])[H])N([H])C(=O)[C@H](CCCCN([H])[H])N([H])C(=O)[C@H](C)N([H])C(=O)[C@H](CC2=CN=CN2[H])N([H])[H]
Value:	=33uM
Source:

Assay:	Inhibitory concentration of the compound against cyclin D1 using biotinylated p21 peptide-DFYHSKRRLIF upon incubation for 30 min at 30 degree C in 50 mM HEPES, pH 7.4 using [gamma32P]ATP
Type:	IC50
SMILES:	[H]OC(=O)[C@H](CC1=CC=CC=C1)N([H])C(=O)[C@@H](N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)[C@H](CCCN([H])\C(=N\[H])N([H])[H])N([H])C(=O)[C@H](CCCN([H])\C(=N/[H])N([H])[H])N([H])C(=O)[C@@H](C)N([H])C(=O)[C@@H](C)N([H])C(=O)[C@@H](CCCCN([H])[H])N([H])[H])[C@@H](C)CC
Value:	=20uM
Source:

Assay:	Inhibitory concentration of the compound against cyclin D1 using biotinylated p21 peptide-DFYHSKRRLIF upon incubation for 30 min at 30 degree C in 50 mM HEPES, pH 7.4 using [gamma32P]ATP
Type:	IC50
SMILES:	[H]OC(=O)[C@H](CC1=CC=CC=C1)N([H])C(=O)[C@@H](N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)[C@H](CCCN([H])\C(=N/[H])N([H])[H])N([H])C(=O)[C@H](CCCN([H])\C(=N\[H])N([H])[H])N([H])C(=O)[C@H](CCCCN([H])[H])N([H])C(=O)[C@H](C)N([H])C(=O)[C@H](CC2=CN=CN2[H])N([H])[H])[C@@H](C)CC
Value:	=13uM
Source:

Assay:	Inhibitory concentration of the compound against cyclin D1 using biotinylated p21 peptide-DFYHSKRRLIF upon incubation for 30 min at 30 degree C in 50 mM HEPES, pH 7.4 using [gamma32P]ATP
Type:	IC50
SMILES:	[H]OC(=O)[C@H](CC1=CC=CC=C1)N([H])C(=O)[C@@H](N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)[C@H](CCCN([H])\C(=N/[H])N([H])[H])N([H])C(=O)[C@H](CCCN([H])\C(=N\[H])N([H])[H])N([H])C(=O)[C@H](CCCCN([H])[H])N([H])C(=O)[C@H](C)N([H])C(=O)[C@H](CC2=CN=CN2[H])N([H])[H])[C@@H](C)CC
Value:	=0.02uM
Source:

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