Molecules to CD4 (P01730) Target Generated and Optimized

Molecules against Target CD4

Uniprot ID: P01730

Other Name(s): None

Assay:	Inhibitory concentration against CD4-gp120 binding in the absence of fetal bovine serum (FBS); Range is 0.13-0.5 uM
Type:	IC50
SMILES:	CN1C(=O)[C@@H](c2cc(Cl)c(O)c(Cl)c2)NC(=O)[C@@H]2NC(=O)[C@@H](c3cc(Cl)c(O)c(Cl)c3)NC(=O)[C@H](NC(=O)C(=O)c3cc(Cl)c(O)c(Cl)c3)Cc3c[nH]c4cc(ccc34)-c3cc2cc(c3O)Oc2ccc(cc2)C[C@H]1C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1
Value:	=130nM
Source:

Assay:	Inhibitory concentration against CD4-gp120 binding in the absence of fetal bovine serum (FBS); Range is 0.13-0.5 uM
Type:	IC50
SMILES:	CN1C(=O)[C@@H](c2cc(Cl)c(O)c(Cl)c2)NC(=O)[C@@H]2NC(=O)[C@@H](c3cc(Cl)c(O)c(Cl)c3)NC(=O)[C@H](NC(=O)C(=O)c3cc(Cl)c(O)c(Cl)c3)Cc3c[nH]c4c(cccc34)-c3cc2cc(c3O)Oc2ccc(cc2)C[C@H]1C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1
Value:	=130nM
Source:

Assay:	Inhibitory concentration against CD4-gp120 binding in the absence of fetal bovine serum (FBS); Range is 0.13-0.5 uM
Type:	IC50
SMILES:	CC(=O)CC(O)(C(=O)N[C@@H]1Cc2c[nH]c3cc(ccc23)-c2cc3cc(c2O)Oc2ccc(cc2)C[C@@H](C(=O)N[C@@H](C(=O)O)c2ccc(O)cc2)N(C)C(=O)[C@@H](c2cc(Cl)c(O)c(Cl)c2)NC(=O)[C@@H]3NC(=O)[C@@H](c2cc(Cl)c(O)c(Cl)c2)NC1=O)c1cc(Cl)c(O)c(Cl)c1
Value:	=130nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)N[C@@H](Cc6ccccc6)C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)N[C@@H](Cc6ccccc6)C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	>62000nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCCC(c5cc(Cl)c(O)c(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	=73000nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	=22000nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccc(-c7cccc(C(=O)O)c7)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(-c7cccc(C(=O)O)c7)cc6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	>95000nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	=4000nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)N[C@@H](CC(C)C)C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)N[C@@H](CC(C)C)C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	>125000nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	=69600nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)N[C@@H](CC(=O)O)C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)N[C@@H](CC(=O)O)C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	=122000nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	>37000nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)NCC(=O)O)c5)c5cc(Cl)c(O)c(C(=O)NCC(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	>125000nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	COc1c(Cl)cc(Cc2cc(C(=CCC[C@H]3CC[C@@]4(C)C(CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5CC[C@@H]4C(C)CCCC(C)C)C3)c3cc(Cc4cc(Cl)c(OC)c(C(=O)O)c4)c(OC)c(C(=O)O)c3)cc(C(=O)O)c2OC)cc1C(=O)O
Value:	=19900nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	>29000nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccc(-c7ccccc7C(=O)O)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(-c7ccccc7C(=O)O)cc6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	>125000nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCCC(c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	=70400nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)NCCC(=O)O)c5)c5cc(Cl)c(O)c(C(=O)NCCC(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	=120000nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccc(CC(=O)O)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(CC(=O)O)cc6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C
Value:	=83800nM
Source:

Assay:	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
Type:	EC50
SMILES:	COc1ccc(C(=O)Nc2cc(C(=CCC[C@H]3CC[C@@]4(C)C(CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5CC[C@@H]4C(C)CCCC(C)C)C3)c3cc(NC(=O)c4ccc(OC)c(C(=O)O)c4)c(OC)c(C(=O)O)c3)cc(C(=O)O)c2OC)cc1C(=O)O
Value:	>66000nM
Source:

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