Compile Data Set for Download or QSAR
Found 37 Enz. Inhib. hit(s) with all data for entry = 50006127
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497089(CHEMBL3263091)
Show SMILES CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(34,35)22-12-10-21(36-3)11-13-22)16-24(32)23(14-20-8-6-5-7-9-20)30-29(33)40-26-18-39-27-25(37-4)17-38-28(26)27/h5-13,19,23-28,32H,14-18H2,1-4H3,(H,30,33)/t23-,24+,25+,26-,27+,28+/m0/s1
Affinity DataIC50: 0.0500nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate by fluorescence ass...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497086(CHEMBL3263090)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12
Show InChI InChI=1S/C28H38N2O9S/c1-18(2)14-30(40(34,35)21-11-9-20(36-3)10-12-21)15-23(31)22(13-19-7-5-4-6-8-19)29-28(33)39-25-17-38-26-24(32)16-37-27(25)26/h4-12,18,22-27,31-32H,13-17H2,1-3H3,(H,29,33)/t22-,23+,24+,25-,26+,27+/m0/s1
Affinity DataIC50: 0.100nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate by fluorescence ass...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497088(CHEMBL3263089)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O
Show InChI InChI=1S/C28H37N3O11S/c1-18(2)14-30(43(36,37)21-11-9-20(38-3)10-12-21)15-23(32)22(13-19-7-5-4-6-8-19)29-28(33)41-24-16-39-27-25(42-31(34)35)17-40-26(24)27/h4-12,18,22-27,32H,13-17H2,1-3H3,(H,29,33)/t22-,23+,24-,25+,26+,27+/m0/s1
Affinity DataIC50: 0.110nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate by fluorescence ass...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497090(CHEMBL3263092)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H36N4O10S/c1-17(2)13-30(42(36,37)20-10-8-19(28)9-11-20)14-22(32)21(12-18-6-4-3-5-7-18)29-27(33)40-23-15-38-26-24(41-31(34)35)16-39-25(23)26/h3-11,17,21-26,32H,12-16,28H2,1-2H3,(H,29,33)/t21-,22+,23-,24+,25+,26+/m0/s1
Affinity DataIC50: 0.120nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate by fluorescence ass...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497087(CHEMBL3263094)
Show SMILES CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C28H39N3O8S/c1-18(2)14-31(40(34,35)21-11-9-20(29)10-12-21)15-23(32)22(13-19-7-5-4-6-8-19)30-28(33)39-25-17-38-26-24(36-3)16-37-27(25)26/h4-12,18,22-27,32H,13-17,29H2,1-3H3,(H,30,33)/t22-,23+,24+,25-,26+,27+/m0/s1
Affinity DataIC50: 0.360nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate by fluorescence ass...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497085(CHEMBL3263093)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H37N3O8S/c1-17(2)13-30(39(34,35)20-10-8-19(28)9-11-20)14-22(31)21(12-18-6-4-3-5-7-18)29-27(33)38-24-16-37-25-23(32)15-36-26(24)25/h3-11,17,21-26,31-32H,12-16,28H2,1-2H3,(H,29,33)/t21-,22+,23+,24-,25+,26+/m0/s1
Affinity DataIC50: 0.430nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate by fluorescence ass...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1
Affinity DataIC50: 10nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate by fluorescence ass...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497085(CHEMBL3263093)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H37N3O8S/c1-17(2)13-30(39(34,35)20-10-8-19(28)9-11-20)14-22(31)21(12-18-6-4-3-5-7-18)29-27(33)38-24-16-37-25-23(32)15-36-26(24)25/h3-11,17,21-26,31-32H,12-16,28H2,1-2H3,(H,29,33)/t21-,22+,23+,24-,25+,26+/m0/s1
Affinity DataIC50: 34nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 0.08 ng/ml by fl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497087(CHEMBL3263094)
Show SMILES CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C28H39N3O8S/c1-18(2)14-31(40(34,35)21-11-9-20(29)10-12-21)15-23(32)22(13-19-7-5-4-6-8-19)30-28(33)39-25-17-38-26-24(36-3)16-37-27(25)26/h4-12,18,22-27,32H,13-17,29H2,1-3H3,(H,30,33)/t22-,23+,24+,25-,26+,27+/m0/s1
Affinity DataIC50: 41nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 0.08 ng/ml by fl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497090(CHEMBL3263092)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H36N4O10S/c1-17(2)13-30(42(36,37)20-10-8-19(28)9-11-20)14-22(32)21(12-18-6-4-3-5-7-18)29-27(33)40-23-15-38-26-24(41-31(34)35)16-39-25(23)26/h3-11,17,21-26,32H,12-16,28H2,1-2H3,(H,29,33)/t21-,22+,23-,24+,25+,26+/m0/s1
Affinity DataIC50: 47nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 0.08 ng/ml by fl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497086(CHEMBL3263090)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12
Show InChI InChI=1S/C28H38N2O9S/c1-18(2)14-30(40(34,35)21-11-9-20(36-3)10-12-21)15-23(31)22(13-19-7-5-4-6-8-19)29-28(33)39-25-17-38-26-24(32)16-37-27(25)26/h4-12,18,22-27,31-32H,13-17H2,1-3H3,(H,29,33)/t22-,23+,24+,25-,26+,27+/m0/s1
Affinity DataIC50: 51nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 0.08 ng/ml by fl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497089(CHEMBL3263091)
Show SMILES CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(34,35)22-12-10-21(36-3)11-13-22)16-24(32)23(14-20-8-6-5-7-9-20)30-29(33)40-26-18-39-27-25(37-4)17-38-28(26)27/h5-13,19,23-28,32H,14-18H2,1-4H3,(H,30,33)/t23-,24+,25+,26-,27+,28+/m0/s1
Affinity DataIC50: 54nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 0.08 ng/ml by fl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497088(CHEMBL3263089)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O
Show InChI InChI=1S/C28H37N3O11S/c1-18(2)14-30(43(36,37)21-11-9-20(38-3)10-12-21)15-23(32)22(13-19-7-5-4-6-8-19)29-28(33)41-24-16-39-27-25(42-31(34)35)17-40-26(24)27/h4-12,18,22-27,32H,13-17H2,1-3H3,(H,29,33)/t22-,23+,24-,25+,26+,27+/m0/s1
Affinity DataIC50: 54nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 0.08 ng/ml by fl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497085(CHEMBL3263093)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H37N3O8S/c1-17(2)13-30(39(34,35)20-10-8-19(28)9-11-20)14-22(31)21(12-18-6-4-3-5-7-18)29-27(33)38-24-16-37-25-23(32)15-36-26(24)25/h3-11,17,21-26,31-32H,12-16,28H2,1-2H3,(H,29,33)/t21-,22+,23+,24-,25+,26+/m0/s1
Affinity DataIC50: 58nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 0.4 ng/ml by flu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497087(CHEMBL3263094)
Show SMILES CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C28H39N3O8S/c1-18(2)14-31(40(34,35)21-11-9-20(29)10-12-21)15-23(32)22(13-19-7-5-4-6-8-19)30-28(33)39-25-17-38-26-24(36-3)16-37-27(25)26/h4-12,18,22-27,32H,13-17,29H2,1-3H3,(H,30,33)/t22-,23+,24+,25-,26+,27+/m0/s1
Affinity DataIC50: 60nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 0.4 ng/ml by flu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497088(CHEMBL3263089)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O
Show InChI InChI=1S/C28H37N3O11S/c1-18(2)14-30(43(36,37)21-11-9-20(38-3)10-12-21)15-23(32)22(13-19-7-5-4-6-8-19)29-28(33)41-24-16-39-27-25(42-31(34)35)17-40-26(24)27/h4-12,18,22-27,32H,13-17H2,1-3H3,(H,29,33)/t22-,23+,24-,25+,26+,27+/m0/s1
Affinity DataIC50: 63nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 0.4 ng/ml by flu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497086(CHEMBL3263090)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12
Show InChI InChI=1S/C28H38N2O9S/c1-18(2)14-30(40(34,35)21-11-9-20(36-3)10-12-21)15-23(31)22(13-19-7-5-4-6-8-19)29-28(33)39-25-17-38-26-24(32)16-37-27(25)26/h4-12,18,22-27,31-32H,13-17H2,1-3H3,(H,29,33)/t22-,23+,24+,25-,26+,27+/m0/s1
Affinity DataIC50: 74nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 0.4 ng/ml by flu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497090(CHEMBL3263092)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H36N4O10S/c1-17(2)13-30(42(36,37)20-10-8-19(28)9-11-20)14-22(32)21(12-18-6-4-3-5-7-18)29-27(33)40-23-15-38-26-24(41-31(34)35)16-39-25(23)26/h3-11,17,21-26,32H,12-16,28H2,1-2H3,(H,29,33)/t21-,22+,23-,24+,25+,26+/m0/s1
Affinity DataIC50: 76nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 0.4 ng/ml by flu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497085(CHEMBL3263093)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H37N3O8S/c1-17(2)13-30(39(34,35)20-10-8-19(28)9-11-20)14-22(31)21(12-18-6-4-3-5-7-18)29-27(33)38-24-16-37-25-23(32)15-36-26(24)25/h3-11,17,21-26,31-32H,12-16,28H2,1-2H3,(H,29,33)/t21-,22+,23+,24-,25+,26+/m0/s1
Affinity DataIC50: 81nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 2 ng/ml by fluor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497089(CHEMBL3263091)
Show SMILES CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(34,35)22-12-10-21(36-3)11-13-22)16-24(32)23(14-20-8-6-5-7-9-20)30-29(33)40-26-18-39-27-25(37-4)17-38-28(26)27/h5-13,19,23-28,32H,14-18H2,1-4H3,(H,30,33)/t23-,24+,25+,26-,27+,28+/m0/s1
Affinity DataIC50: 83nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 0.4 ng/ml by flu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497088(CHEMBL3263089)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O
Show InChI InChI=1S/C28H37N3O11S/c1-18(2)14-30(43(36,37)21-11-9-20(38-3)10-12-21)15-23(32)22(13-19-7-5-4-6-8-19)29-28(33)41-24-16-39-27-25(42-31(34)35)17-40-26(24)27/h4-12,18,22-27,32H,13-17H2,1-3H3,(H,29,33)/t22-,23+,24-,25+,26+,27+/m0/s1
Affinity DataIC50: 93nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 2 ng/ml by fluor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497088(CHEMBL3263089)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O
Show InChI InChI=1S/C28H37N3O11S/c1-18(2)14-30(43(36,37)21-11-9-20(38-3)10-12-21)15-23(32)22(13-19-7-5-4-6-8-19)29-28(33)41-24-16-39-27-25(42-31(34)35)17-40-26(24)27/h4-12,18,22-27,32H,13-17H2,1-3H3,(H,29,33)/t22-,23+,24-,25+,26+,27+/m0/s1
Affinity DataIC50: 93nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 50 ng/ml by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497089(CHEMBL3263091)
Show SMILES CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(34,35)22-12-10-21(36-3)11-13-22)16-24(32)23(14-20-8-6-5-7-9-20)30-29(33)40-26-18-39-27-25(37-4)17-38-28(26)27/h5-13,19,23-28,32H,14-18H2,1-4H3,(H,30,33)/t23-,24+,25+,26-,27+,28+/m0/s1
Affinity DataIC50: 94nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 2 ng/ml by fluor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497090(CHEMBL3263092)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H36N4O10S/c1-17(2)13-30(42(36,37)20-10-8-19(28)9-11-20)14-22(32)21(12-18-6-4-3-5-7-18)29-27(33)40-23-15-38-26-24(41-31(34)35)16-39-25(23)26/h3-11,17,21-26,32H,12-16,28H2,1-2H3,(H,29,33)/t21-,22+,23-,24+,25+,26+/m0/s1
Affinity DataIC50: 94nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 2 ng/ml by fluor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497085(CHEMBL3263093)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H37N3O8S/c1-17(2)13-30(39(34,35)20-10-8-19(28)9-11-20)14-22(31)21(12-18-6-4-3-5-7-18)29-27(33)38-24-16-37-25-23(32)15-36-26(24)25/h3-11,17,21-26,31-32H,12-16,28H2,1-2H3,(H,29,33)/t21-,22+,23+,24-,25+,26+/m0/s1
Affinity DataIC50: 95nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 10 ng/ml by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497090(CHEMBL3263092)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H36N4O10S/c1-17(2)13-30(42(36,37)20-10-8-19(28)9-11-20)14-22(32)21(12-18-6-4-3-5-7-18)29-27(33)40-23-15-38-26-24(41-31(34)35)16-39-25(23)26/h3-11,17,21-26,32H,12-16,28H2,1-2H3,(H,29,33)/t21-,22+,23-,24+,25+,26+/m0/s1
Affinity DataIC50: 95nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 50 ng/ml by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497089(CHEMBL3263091)
Show SMILES CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(34,35)22-12-10-21(36-3)11-13-22)16-24(32)23(14-20-8-6-5-7-9-20)30-29(33)40-26-18-39-27-25(37-4)17-38-28(26)27/h5-13,19,23-28,32H,14-18H2,1-4H3,(H,30,33)/t23-,24+,25+,26-,27+,28+/m0/s1
Affinity DataIC50: 96nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 50 ng/ml by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497086(CHEMBL3263090)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12
Show InChI InChI=1S/C28H38N2O9S/c1-18(2)14-30(40(34,35)21-11-9-20(36-3)10-12-21)15-23(31)22(13-19-7-5-4-6-8-19)29-28(33)39-25-17-38-26-24(32)16-37-27(25)26/h4-12,18,22-27,31-32H,13-17H2,1-3H3,(H,29,33)/t22-,23+,24+,25-,26+,27+/m0/s1
Affinity DataIC50: 97nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 50 ng/ml by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497087(CHEMBL3263094)
Show SMILES CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C28H39N3O8S/c1-18(2)14-31(40(34,35)21-11-9-20(29)10-12-21)15-23(32)22(13-19-7-5-4-6-8-19)30-28(33)39-25-17-38-26-24(36-3)16-37-27(25)26/h4-12,18,22-27,32H,13-17,29H2,1-3H3,(H,30,33)/t22-,23+,24+,25-,26+,27+/m0/s1
Affinity DataIC50: 97nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 50 ng/ml by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497085(CHEMBL3263093)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H37N3O8S/c1-17(2)13-30(39(34,35)20-10-8-19(28)9-11-20)14-22(31)21(12-18-6-4-3-5-7-18)29-27(33)38-24-16-37-25-23(32)15-36-26(24)25/h3-11,17,21-26,31-32H,12-16,28H2,1-2H3,(H,29,33)/t21-,22+,23+,24-,25+,26+/m0/s1
Affinity DataIC50: 98nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 50 ng/ml by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497086(CHEMBL3263090)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12
Show InChI InChI=1S/C28H38N2O9S/c1-18(2)14-30(40(34,35)21-11-9-20(36-3)10-12-21)15-23(31)22(13-19-7-5-4-6-8-19)29-28(33)39-25-17-38-26-24(32)16-37-27(25)26/h4-12,18,22-27,31-32H,13-17H2,1-3H3,(H,29,33)/t22-,23+,24+,25-,26+,27+/m0/s1
Affinity DataIC50: 98nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 10 ng/ml by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497090(CHEMBL3263092)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H36N4O10S/c1-17(2)13-30(42(36,37)20-10-8-19(28)9-11-20)14-22(32)21(12-18-6-4-3-5-7-18)29-27(33)40-23-15-38-26-24(41-31(34)35)16-39-25(23)26/h3-11,17,21-26,32H,12-16,28H2,1-2H3,(H,29,33)/t21-,22+,23-,24+,25+,26+/m0/s1
Affinity DataIC50: 99nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 10 ng/ml by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497086(CHEMBL3263090)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12
Show InChI InChI=1S/C28H38N2O9S/c1-18(2)14-30(40(34,35)21-11-9-20(36-3)10-12-21)15-23(31)22(13-19-7-5-4-6-8-19)29-28(33)39-25-17-38-26-24(32)16-37-27(25)26/h4-12,18,22-27,31-32H,13-17H2,1-3H3,(H,29,33)/t22-,23+,24+,25-,26+,27+/m0/s1
Affinity DataIC50: 99nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 2 ng/ml by fluor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497088(CHEMBL3263089)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O
Show InChI InChI=1S/C28H37N3O11S/c1-18(2)14-30(43(36,37)21-11-9-20(38-3)10-12-21)15-23(32)22(13-19-7-5-4-6-8-19)29-28(33)41-24-16-39-27-25(42-31(34)35)17-40-26(24)27/h4-12,18,22-27,32H,13-17H2,1-3H3,(H,29,33)/t22-,23+,24-,25+,26+,27+/m0/s1
Affinity DataIC50: 100nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 10 ng/ml by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497087(CHEMBL3263094)
Show SMILES CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C28H39N3O8S/c1-18(2)14-31(40(34,35)21-11-9-20(29)10-12-21)15-23(32)22(13-19-7-5-4-6-8-19)30-28(33)39-25-17-38-26-24(36-3)16-37-27(25)26/h4-12,18,22-27,32H,13-17,29H2,1-3H3,(H,30,33)/t22-,23+,24+,25-,26+,27+/m0/s1
Affinity DataIC50: 100nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 10 ng/ml by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497089(CHEMBL3263091)
Show SMILES CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(34,35)22-12-10-21(36-3)11-13-22)16-24(32)23(14-20-8-6-5-7-9-20)30-29(33)40-26-18-39-27-25(37-4)17-38-28(26)27/h5-13,19,23-28,32H,14-18H2,1-4H3,(H,30,33)/t23-,24+,25+,26-,27+,28+/m0/s1
Affinity DataIC50: 102nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 10 ng/ml by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50497087(CHEMBL3263094)
Show SMILES CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C28H39N3O8S/c1-18(2)14-31(40(34,35)21-11-9-20(29)10-12-21)15-23(32)22(13-19-7-5-4-6-8-19)30-28(33)39-25-17-38-26-24(36-3)16-37-27(25)26/h4-12,18,22-27,32H,13-17,29H2,1-3H3,(H,30,33)/t22-,23+,24+,25-,26+,27+/m0/s1
Affinity DataIC50: 103nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 2 ng/ml by fluor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid