Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'satyanarayana' and Initial = 't'   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190623 (CHEMBL3828743) Show SMILES N[C@@H]([C@@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C30H30ClF6N5O4/c31-18-3-1-16(2-4-18)26(17-7-19(32)9-20(33)8-17)27(38)28(43)42-25-12-39-11-24(34)23(25)6-5-22-10-40-21(13-45-22)14-46-29(44)41-15-30(35,36)37/h1-4,7-9,11-12,21-22,26-27,40H,5-6,10,13-15,38H2,(H,41,44)(H,42,43)/t21-,22+,26-,27-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190624 (CHEMBL3828417) Show SMILES N[C@@H]([C@@H](c1ccc(F)cc1)c1cc(F)cc(F)c1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C30H30F7N5O4/c31-18-3-1-16(2-4-18)26(17-7-19(32)9-20(33)8-17)27(38)28(43)42-25-12-39-11-24(34)23(25)6-5-22-10-40-21(13-45-22)14-46-29(44)41-15-30(35,36)37/h1-4,7-9,11-12,21-22,26-27,40H,5-6,10,13-15,38H2,(H,41,44)(H,42,43)/t21-,22+,26-,27-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190625 (CHEMBL3828552) Show SMILES N[C@@H]([C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C30H31F6N5O4/c31-19-6-4-17(5-7-19)26(18-2-1-3-20(32)10-18)27(37)28(42)41-25-13-38-12-24(33)23(25)9-8-22-11-39-21(14-44-22)15-45-29(43)40-16-30(34,35)36/h1-7,10,12-13,21-22,26-27,39H,8-9,11,14-16,37H2,(H,40,43)(H,41,42)/t21-,22+,26-,27-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190638 (CHEMBL3828119) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCc2ccc(Cl)s2)CO1 |r| Show InChI InChI=1S/C36H39ClN4O6S/c1-45-36(44)41-33(32(25-11-4-2-5-12-25)26-13-6-3-7-14-26)34(42)40-30-15-9-8-10-24(30)16-17-28-20-38-27(22-46-28)23-47-35(43)39-21-29-18-19-31(37)48-29/h2-15,18-19,27-28,32-33,38H,16-17,20-23H2,1H3,(H,39,43)(H,40,42)(H,41,44)/t27-,28+,33-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190631 (CHEMBL3828166) Show SMILES N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C31H34F4N4O4/c32-25-12-7-13-26(39-29(40)28(36)27(20-8-3-1-4-9-20)21-10-5-2-6-11-21)24(25)15-14-23-16-37-22(17-42-23)18-43-30(41)38-19-31(33,34)35/h1-13,22-23,27-28,37H,14-19,36H2,(H,38,41)(H,39,40)/t22-,23+,28-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190639 (CHEMBL3827524) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCc2cccc(Cl)n2)CO1 |r| Show InChI InChI=1S/C37H40ClN5O6/c1-47-37(46)43-34(33(26-12-4-2-5-13-26)27-14-6-3-7-15-27)35(44)42-31-17-9-8-11-25(31)19-20-30-22-39-29(23-48-30)24-49-36(45)40-21-28-16-10-18-32(38)41-28/h2-18,29-30,33-34,39H,19-24H2,1H3,(H,40,45)(H,42,44)(H,43,46)/t29-,30+,34-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190629 (CHEMBL3828678) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C32H35F4N5O6/c1-45-31(44)41-28(27(20-8-4-2-5-9-20)21-10-6-3-7-11-21)29(42)40-26-16-37-15-25(33)24(26)13-12-23-14-38-22(17-46-23)18-47-30(43)39-19-32(34,35)36/h2-11,15-16,22-23,27-28,38H,12-14,17-19H2,1H3,(H,39,43)(H,40,42)(H,41,44)/t22-,23+,28-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190636 (CHEMBL3828275) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)N[C@H]2CCc3ccccc23)CO1 |r| Show InChI InChI=1S/C40H44N4O6/c1-48-39(46)44-37(36(29-14-4-2-5-15-29)30-16-6-3-7-17-30)38(45)42-34-19-11-9-13-28(34)20-22-32-24-41-31(25-49-32)26-50-40(47)43-35-23-21-27-12-8-10-18-33(27)35/h2-19,31-32,35-37,41H,20-26H2,1H3,(H,42,45)(H,43,47)(H,44,46)/t31-,32+,35-,37-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190641 (CHEMBL3827205) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCc2ccccc2F)CO1 |r| Show InChI InChI=1S/C38H41FN4O6/c1-47-38(46)43-35(34(27-13-4-2-5-14-27)28-15-6-3-7-16-28)36(44)42-33-19-11-9-12-26(33)20-21-31-23-40-30(24-48-31)25-49-37(45)41-22-29-17-8-10-18-32(29)39/h2-19,30-31,34-35,40H,20-25H2,1H3,(H,41,45)(H,42,44)(H,43,46)/t30-,31+,35-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190640 (CHEMBL3828355) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCc2ccc(F)cc2)CO1 |r| Show InChI InChI=1S/C38H41FN4O6/c1-47-38(46)43-35(34(28-11-4-2-5-12-28)29-13-6-3-7-14-29)36(44)42-33-15-9-8-10-27(33)18-21-32-23-40-31(24-48-32)25-49-37(45)41-22-26-16-19-30(39)20-17-26/h2-17,19-20,31-32,34-35,40H,18,21-25H2,1H3,(H,41,45)(H,42,44)(H,43,46)/t31-,32+,35-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190642 (CHEMBL3827353) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCc2ccccc2)CO1 |r| Show InChI InChI=1S/C38H42N4O6/c1-46-38(45)42-35(34(29-16-7-3-8-17-29)30-18-9-4-10-19-30)36(43)41-33-20-12-11-15-28(33)21-22-32-24-39-31(25-47-32)26-48-37(44)40-23-27-13-5-2-6-14-27/h2-20,31-32,34-35,39H,21-26H2,1H3,(H,40,44)(H,41,43)(H,42,45)/t31-,32+,35-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article 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 Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190627 (CHEMBL3827958) Show SMILES N[C@@H]([C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1cccc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C31H32F6N4O4/c32-20-9-7-18(8-10-20)27(19-3-1-4-21(33)13-19)28(38)29(42)41-26-6-2-5-25(34)24(26)12-11-23-14-39-22(15-44-23)16-45-30(43)40-17-31(35,36)37/h1-10,13,22-23,27-28,39H,11-12,14-17,38H2,(H,40,43)(H,41,42)/t22-,23+,27-,28-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190626 (CHEMBL3827319) Show SMILES N[C@@H]([C@@H](c1ccc(F)cc1)c1cc(F)cc(F)c1)C(=O)Nc1cccc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C31H31F7N4O4/c32-19-6-4-17(5-7-19)27(18-10-20(33)12-21(34)11-18)28(39)29(43)42-26-3-1-2-25(35)24(26)9-8-23-13-40-22(14-45-23)15-46-30(44)41-16-31(36,37)38/h1-7,10-12,22-23,27-28,40H,8-9,13-16,39H2,(H,41,44)(H,42,43)/t22-,23+,27-,28-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190637 (CHEMBL3827348) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)N[C@@H]2CCc3ccccc23)CO1 |r| Show InChI InChI=1S/C40H44N4O6/c1-48-39(46)44-37(36(29-14-4-2-5-15-29)30-16-6-3-7-17-30)38(45)42-34-19-11-9-13-28(34)20-22-32-24-41-31(25-49-32)26-50-40(47)43-35-23-21-27-12-8-10-18-33(27)35/h2-19,31-32,35-37,41H,20-26H2,1H3,(H,42,45)(H,43,47)(H,44,46)/t31-,32+,35+,37-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190628 (CHEMBL3827975) Show SMILES N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C30H33F4N5O4/c31-24-14-36-15-25(39-28(40)27(35)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20)23(24)12-11-22-13-37-21(16-42-22)17-43-29(41)38-18-30(32,33)34/h1-10,14-15,21-22,26-27,37H,11-13,16-18,35H2,(H,38,41)(H,39,40)/t21-,22+,27-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190632 (CHEMBL3827450) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C33H36F4N4O6/c1-45-32(44)41-29(28(21-9-4-2-5-10-21)22-11-6-3-7-12-22)30(42)40-27-14-8-13-26(34)25(27)16-15-24-17-38-23(18-46-24)19-47-31(43)39-20-33(35,36)37/h2-14,23-24,28-29,38H,15-20H2,1H3,(H,39,43)(H,40,42)(H,41,44)/t23-,24+,29-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190630 (CHEMBL3827960) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1cnccc1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C32H36F3N5O6/c1-44-31(43)40-28(27(22-8-4-2-5-9-22)23-10-6-3-7-11-23)29(41)39-26-17-36-15-14-21(26)12-13-25-16-37-24(18-45-25)19-46-30(42)38-20-32(33,34)35/h2-11,14-15,17,24-25,27-28,37H,12-13,16,18-20H2,1H3,(H,38,42)(H,39,41)(H,40,43)/t24-,25+,28-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190633 (CHEMBL3827407) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(N)=O)CO1 |r| Show InChI InChI=1S/C31H36N4O6/c1-39-31(38)35-28(27(22-11-4-2-5-12-22)23-13-6-3-7-14-23)29(36)34-26-15-9-8-10-21(26)16-17-25-18-33-24(19-40-25)20-41-30(32)37/h2-15,24-25,27-28,33H,16-20H2,1H3,(H2,32,37)(H,34,36)(H,35,38)/t24-,25+,28-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190634 (CHEMBL3828494) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C33H37F3N4O6/c1-44-32(43)40-29(28(23-11-4-2-5-12-23)24-13-6-3-7-14-24)30(41)39-27-15-9-8-10-22(27)16-17-26-18-37-25(19-45-26)20-46-31(42)38-21-33(34,35)36/h2-15,25-26,28-29,37H,16-21H2,1H3,(H,38,42)(H,39,41)(H,40,43)/t25-,26+,29-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190635 (CHEMBL3827668) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NC(C)C)CO1 |r| Show InChI InChI=1S/C34H42N4O6/c1-23(2)36-34(41)44-22-27-21-43-28(20-35-27)19-18-24-12-10-11-17-29(24)37-32(39)31(38-33(40)42-3)30(25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-17,23,27-28,30-31,35H,18-22H2,1-3H3,(H,36,41)(H,37,39)(H,38,40)/t27-,28+,31-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair