Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50005491   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037527 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C39H47N5O6S/c1-39(2,3)42-38(48)32-25-44(51(49,50)34-17-9-14-27-15-10-18-40-35(27)34)20-19-43(32)24-30(45)22-29(21-26-11-5-4-6-12-26)37(47)41-36-31-16-8-7-13-28(31)23-33(36)46/h4-18,29-30,32-33,36,45-46H,19-25H2,1-3H3,(H,41,47)(H,42,48)/t29-,30+,32+,33-,36?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037530 ((S)-4-(4-Bromo-2-mercapto-benzyl)-1-[(2S,4R)-2-hyd...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Br)cc2S)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C37H47BrN4O4S/c1-37(2,3)40-36(46)31-23-41(21-26-13-14-28(38)20-33(26)47)15-16-42(31)22-29(43)18-27(17-24-9-5-4-6-10-24)35(45)39-34-30-12-8-7-11-25(30)19-32(34)44/h4-14,20,27,29,31-32,34,43-44,47H,15-19,21-23H2,1-3H3,(H,39,45)(H,40,46)/t27-,29+,31+,32-,34?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037537 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)C(=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C40H46N4O7/c1-40(2,3)42-37(48)32-24-44(38(49)31-21-27-14-8-10-16-34(27)51-39(31)50)18-17-43(32)23-29(45)20-28(19-25-11-5-4-6-12-25)36(47)41-35-30-15-9-7-13-26(30)22-33(35)46/h4-16,21,28-29,32-33,35,45-46H,17-20,22-24H2,1-3H3,(H,41,47)(H,42,48)/t28-,29+,32+,33-,35?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037528 ((S)-4-(2,5-Dimethyl-thiazole-4-sulfonyl)-1-[(2S,4R...) Show SMILES Cc1nc(c(C)s1)S(=O)(=O)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C Show InChI InChI=1S/C35H47N5O6S2/c1-22-34(36-23(2)47-22)48(45,46)40-16-15-39(29(21-40)33(44)38-35(3,4)5)20-27(41)18-26(17-24-11-7-6-8-12-24)32(43)37-31-28-14-10-9-13-25(28)19-30(31)42/h6-14,26-27,29-31,41-42H,15-21H2,1-5H3,(H,37,43)(H,38,44)/t26-,27+,29+,30-,31?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037529 ((S)-4-Benzyl-1-[(2S,4R)-2-hydroxy-4-((R)-(R)-2-hyd...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C37H48N4O4/c1-37(2,3)39-36(45)32-25-40(23-27-14-8-5-9-15-27)18-19-41(32)24-30(42)21-29(20-26-12-6-4-7-13-26)35(44)38-34-31-17-11-10-16-28(31)22-33(34)43/h4-17,29-30,32-34,42-43H,18-25H2,1-3H3,(H,38,44)(H,39,45)/t29-,30+,32+,33-,34?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037532 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)S(=O)(=O)c1cccnc1 Show InChI InChI=1S/C35H45N5O6S/c1-35(2,3)38-34(44)30-23-40(47(45,46)28-13-9-15-36-21-28)17-16-39(30)22-27(41)19-26(18-24-10-5-4-6-11-24)33(43)37-32-29-14-8-7-12-25(29)20-31(32)42/h4-15,21,26-27,30-32,41-42H,16-20,22-23H2,1-3H3,(H,37,43)(H,38,44)/t26-,27+,30+,31-,32?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037538 ((S)-4-(2,4-Difluoro-benzyl)-1-[(2S,4R)-2-hydroxy-4...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(F)cc2F)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C37H46F2N4O4/c1-37(2,3)41-36(47)32-23-42(21-26-13-14-28(38)20-31(26)39)15-16-43(32)22-29(44)18-27(17-24-9-5-4-6-10-24)35(46)40-34-30-12-8-7-11-25(30)19-33(34)45/h4-14,20,27,29,32-34,44-45H,15-19,21-23H2,1-3H3,(H,40,46)(H,41,47)/t27-,29+,32+,33-,34?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407231 (CHEMBL2062139 | L-732747) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C38H48N4O6/c1-38(2,3)40-36(46)32-24-42(37(47)48-25-27-14-8-5-9-15-27)19-18-41(32)23-30(43)21-29(20-26-12-6-4-7-13-26)35(45)39-34-31-17-11-10-16-28(31)22-33(34)44/h4-17,29-30,32-34,43-44H,18-25H2,1-3H3,(H,39,45)(H,40,46)/t29-,30+,32+,33-,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037535 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccncc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-13-15-37-16-14-26)17-18-41(31)23-29(42)20-28(19-25-9-5-4-6-10-25)34(44)38-33-30-12-8-7-11-27(30)21-32(33)43/h4-16,28-29,31-33,42-43H,17-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037533 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2S)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C37H48N4O4S/c1-37(2,3)39-36(45)31-24-40(22-27-14-8-10-16-33(27)46)17-18-41(31)23-29(42)20-28(19-25-11-5-4-6-12-25)35(44)38-34-30-15-9-7-13-26(30)21-32(34)43/h4-16,28-29,31-32,34,42-43,46H,17-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,34?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) 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 |r| 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	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037540 (CHEMBL115176 | {(S)-3-tert-Butylcarbamoyl-4-[(2S,4...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CC(=O)OC(C)(C)C)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H52N4O6/c1-35(2,3)38-34(45)29-22-39(23-31(43)46-36(4,5)6)16-17-40(29)21-27(41)19-26(18-24-12-8-7-9-13-24)33(44)37-32-28-15-11-10-14-25(28)20-30(32)42/h7-15,26-27,29-30,32,41-42H,16-23H2,1-6H3,(H,37,44)(H,38,45)/t26-,27+,29+,30-,32?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037539 ((S)-4-(2-Benzyloxy-ethyl)-1-[(2S,4R)-2-hydroxy-4-(...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCOCc2ccccc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C39H52N4O5/c1-39(2,3)41-38(47)34-26-42(20-21-48-27-29-14-8-5-9-15-29)18-19-43(34)25-32(44)23-31(22-28-12-6-4-7-13-28)37(46)40-36-33-17-11-10-16-30(33)24-35(36)45/h4-17,31-32,34-36,44-45H,18-27H2,1-3H3,(H,40,46)(H,41,47)/t31-,32+,34+,35-,36?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037541 ((S)-4-Ethyl-1-[(2S,4R)-2-hydroxy-4-((R)-(R)-2-hydr...) Show SMILES CCN1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C Show InChI InChI=1S/C32H46N4O4/c1-5-35-15-16-36(27(21-35)31(40)34-32(2,3)4)20-25(37)18-24(17-22-11-7-6-8-12-22)30(39)33-29-26-14-10-9-13-23(26)19-28(29)38/h6-14,24-25,27-29,37-38H,5,15-21H2,1-4H3,(H,33,39)(H,34,40)/t24-,25+,27+,28-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037536 ((S)-2-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C35H49N3O4/c1-35(2,3)37-34(42)30-19-24-13-7-8-15-26(24)21-38(30)22-28(39)18-27(17-23-11-5-4-6-12-23)33(41)36-32-29-16-10-9-14-25(29)20-31(32)40/h4-6,9-12,14,16,24,26-28,30-32,39-40H,7-8,13,15,17-22H2,1-3H3,(H,36,41)(H,37,42)/t24?,26?,27-,28+,30+,31-,32?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037524 ((2S,4S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)Oc1ccc2ccccc2c1 Show InChI InChI=1S/C40H47N3O5/c1-40(2,3)42-39(47)35-23-33(48-32-18-17-27-13-7-8-14-28(27)21-32)25-43(35)24-31(44)20-30(19-26-11-5-4-6-12-26)38(46)41-37-34-16-10-9-15-29(34)22-36(37)45/h4-18,21,30-31,33,35-37,44-45H,19-20,22-25H2,1-3H3,(H,41,46)(H,42,47)/t30-,31+,33+,35+,36-,37?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037542 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CNCCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C30H42N4O4/c1-30(2,3)33-29(38)25-18-31-13-14-34(25)19-23(35)16-22(15-20-9-5-4-6-10-20)28(37)32-27-24-12-8-7-11-21(24)17-26(27)36/h4-12,22-23,25-27,31,35-36H,13-19H2,1-3H3,(H,32,37)(H,33,38)/t22-,23+,25+,26-,27?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037534 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C31H43N3O4/c1-31(2,3)33-30(38)26-15-9-10-16-34(26)20-24(35)18-23(17-21-11-5-4-6-12-21)29(37)32-28-25-14-8-7-13-22(25)19-27(28)36/h4-8,11-14,23-24,26-28,35-36H,9-10,15-20H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,26+,27-,28?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037531 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C30H41N3O4/c1-30(2,3)32-29(37)25-14-9-15-33(25)19-23(34)17-22(16-20-10-5-4-6-11-20)28(36)31-27-24-13-8-7-12-21(24)18-26(27)35/h4-8,10-13,22-23,25-27,34-35H,9,14-19H2,1-3H3,(H,31,36)(H,32,37)/t22-,23+,25+,26-,27?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	347	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) BindingDB Entry DOI: 10.7270/Q24J0D5K
					More data for this Ligand-Target Pair