Compile Data Set for Download or QSAR

Found 2615 hits with Last Name = 'pannecouque' and Initial = 'c'   

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))	BDBM50505279 (CHEMBL4436207) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(cc1)B(O)O |r| Show InChI InChI=1S/C27H37BN2O9S/c1-18(2)15-30(40(35,36)21-10-8-20(9-11-21)28(33)34)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)39-25-17-38-26-22(25)12-13-37-26/h3-11,18,22-26,31,33-34H,12-17H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using RE(Edans)SGIFLETSK(Dabcyl)R as substrate by fluorescence method				J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 BindingDB Entry DOI: 10.7270/Q2BR8WFX
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/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	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Binding affinity to wild type HIV1 protease				J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/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	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using RE(Edans)SGIFLETSK(Dabcyl)R as substrate by fluorescence method				J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 BindingDB Entry DOI: 10.7270/Q2BR8WFX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50163737 (CHEMBL3799941) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@H]2Cc3ccccc3[C@H]2O)nn1 |r| Show InChI InChI=1S/C33H39N5O7S/c1-22(2)19-38(46(42,43)27-15-13-26(44-3)14-16-27)32(40)30(17-23-9-5-4-6-10-23)37-20-25(35-36-37)21-45-33(41)34-29-18-24-11-7-8-12-28(24)31(29)39/h4-16,20,22,29-32,39-40H,17-19,21H2,1-3H3,(H,34,41)/t29-,30-,31+,32-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease after 48 hrs by micro-titer plate assay				J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50163737 (CHEMBL3799941) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@H]2Cc3ccccc3[C@H]2O)nn1 |r| Show InChI InChI=1S/C33H39N5O7S/c1-22(2)19-38(46(42,43)27-15-13-26(44-3)14-16-27)32(40)30(17-23-9-5-4-6-10-23)37-20-25(35-36-37)21-45-33(41)34-29-18-24-11-7-8-12-28(24)31(29)39/h4-16,20,22,29-32,39-40H,17-19,21H2,1-3H3,(H,34,41)/t29-,30-,31+,32-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 BindingDB Entry DOI: 10.7270/Q2BR8WFX
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50163737 (CHEMBL3799941) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@H]2Cc3ccccc3[C@H]2O)nn1 |r| Show InChI InChI=1S/C33H39N5O7S/c1-22(2)19-38(46(42,43)27-15-13-26(44-3)14-16-27)32(40)30(17-23-9-5-4-6-10-23)37-20-25(35-36-37)21-45-33(41)34-29-18-24-11-7-8-12-28(24)31(29)39/h4-16,20,22,29-32,39-40H,17-19,21H2,1-3H3,(H,34,41)/t29-,30-,31+,32-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Pr SF-2-WTQ7K-Pr as substrate after 24 hrs by LC/MS-MS analysis				J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50163750 (CHEMBL3797292) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1 |r| Show InChI InChI=1S/C36H46N6O7S/c1-25(2)23-42(50(46,47)31-18-16-30(48-6)17-19-31)34(44)32(20-26-10-8-7-9-11-26)41-24-29(39-40-41)22-37-33(43)28-14-12-27(13-15-28)21-38-35(45)49-36(3,4)5/h7-19,24-25,32,34,44H,20-23H2,1-6H3,(H,37,43)(H,38,45)/t32-,34-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 BindingDB Entry DOI: 10.7270/Q2BR8WFX
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50163750 (CHEMBL3797292) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1 |r| Show InChI InChI=1S/C36H46N6O7S/c1-25(2)23-42(50(46,47)31-18-16-30(48-6)17-19-31)34(44)32(20-26-10-8-7-9-11-26)41-24-29(39-40-41)22-37-33(43)28-14-12-27(13-15-28)21-38-35(45)49-36(3,4)5/h7-19,24-25,32,34,44H,20-23H2,1-6H3,(H,37,43)(H,38,45)/t32-,34-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease after 48 hrs by micro-titer plate assay				J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50200943 (CHEMBL269769 | cyclopentyl (2S,3S)-3-[4-([4-(5-chl...) Show SMILES Cc1ccc(Cl)cc1N1CCN(Cc2nnn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)c2CO)CC1 |r| Show InChI InChI=1S/C37H45ClN6O3/c1-27-16-17-30(38)24-34(27)43-20-18-42(19-21-43)25-33-36(26-45)44(41-40-33)35(23-29-12-6-3-7-13-29)32(22-28-10-4-2-5-11-28)39-37(46)47-31-14-8-9-15-31/h2-7,10-13,16-17,24,31-32,35,45H,8-9,14-15,18-23,25-26H2,1H3,(H,39,46)/t32-,35-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease after 48 hrs by micro-titer plate assay				J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50505281 (CHEMBL2315948) Show SMILES OC(=O)C1CCCN(CCN\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 Show InChI InChI=1S/C21H23Cl2N3O2/c22-17-7-8-19(20(23)12-17)18-6-2-1-4-15(18)13-25-24-9-11-26-10-3-5-16(14-26)21(27)28/h1-2,4,6-8,12-13,16,24H,3,5,9-11,14H2,(H,27,28)/b25-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of NO711 binding to mouse GAT1 receptor expressed in HEK293 cell membranes incubated for 1 hr by LC-ESI-MS/MS analysis				J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 BindingDB Entry DOI: 10.7270/Q2BR8WFX
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50163750 (CHEMBL3797292) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1 |r| Show InChI InChI=1S/C36H46N6O7S/c1-25(2)23-42(50(46,47)31-18-16-30(48-6)17-19-31)34(44)32(20-26-10-8-7-9-11-26)41-24-29(39-40-41)22-37-33(43)28-14-12-27(13-15-28)21-38-35(45)49-36(3,4)5/h7-19,24-25,32,34,44H,20-23H2,1-6H3,(H,37,43)(H,38,45)/t32-,34-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease G48V mutant				J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 BindingDB Entry DOI: 10.7270/Q2BR8WFX
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50163737 (CHEMBL3799941) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@H]2Cc3ccccc3[C@H]2O)nn1 |r| Show InChI InChI=1S/C33H39N5O7S/c1-22(2)19-38(46(42,43)27-15-13-26(44-3)14-16-27)32(40)30(17-23-9-5-4-6-10-23)37-20-25(35-36-37)21-45-33(41)34-29-18-24-11-7-8-12-28(24)31(29)39/h4-16,20,22,29-32,39-40H,17-19,21H2,1-3H3,(H,34,41)/t29-,30-,31+,32-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease V82F mutant				J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 BindingDB Entry DOI: 10.7270/Q2BR8WFX
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 1150-8 (2013) Article DOI: 10.1016/j.bmc.2012.12.027 BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50163750 (CHEMBL3797292) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1 |r| Show InChI InChI=1S/C36H46N6O7S/c1-25(2)23-42(50(46,47)31-18-16-30(48-6)17-19-31)34(44)32(20-26-10-8-7-9-11-26)41-24-29(39-40-41)22-37-33(43)28-14-12-27(13-15-28)21-38-35(45)49-36(3,4)5/h7-19,24-25,32,34,44H,20-23H2,1-6H3,(H,37,43)(H,38,45)/t32-,34-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease V82F mutant				J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 BindingDB Entry DOI: 10.7270/Q2BR8WFX
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50163752 (CHEMBL3799500) Show SMILES CC[C@H](C)CN(C[C@@H](O)C(Cc1ccccc1)N([C@H]1CCC(=O)N1)C(=O)OC)S(=O)(=O)c1cccc2ncsc12 |r| Show InChI InChI=1S/C28H36N4O6S2/c1-4-19(2)16-31(40(36,37)24-12-8-11-21-27(24)39-18-29-21)17-23(33)22(15-20-9-6-5-7-10-20)32(28(35)38-3)25-13-14-26(34)30-25/h5-12,18-19,22-23,25,33H,4,13-17H2,1-3H3,(H,30,34)/t19-,22?,23+,25-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Binding affinity to wild type HIV1 protease				J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50163737 (CHEMBL3799941) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@H]2Cc3ccccc3[C@H]2O)nn1 |r| Show InChI InChI=1S/C33H39N5O7S/c1-22(2)19-38(46(42,43)27-15-13-26(44-3)14-16-27)32(40)30(17-23-9-5-4-6-10-23)37-20-25(35-36-37)21-45-33(41)34-29-18-24-11-7-8-12-28(24)31(29)39/h4-16,20,22,29-32,39-40H,17-19,21H2,1-3H3,(H,34,41)/t29-,30-,31+,32-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease G48V mutant				J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 BindingDB Entry DOI: 10.7270/Q2BR8WFX
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50163737 (CHEMBL3799941) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@H]2Cc3ccccc3[C@H]2O)nn1 |r| Show InChI InChI=1S/C33H39N5O7S/c1-22(2)19-38(46(42,43)27-15-13-26(44-3)14-16-27)32(40)30(17-23-9-5-4-6-10-23)37-20-25(35-36-37)21-45-33(41)34-29-18-24-11-7-8-12-28(24)31(29)39/h4-16,20,22,29-32,39-40H,17-19,21H2,1-3H3,(H,34,41)/t29-,30-,31+,32-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease V82A mutant				J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 BindingDB Entry DOI: 10.7270/Q2BR8WFX
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50163750 (CHEMBL3797292) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1 |r| Show InChI InChI=1S/C36H46N6O7S/c1-25(2)23-42(50(46,47)31-18-16-30(48-6)17-19-31)34(44)32(20-26-10-8-7-9-11-26)41-24-29(39-40-41)22-37-33(43)28-14-12-27(13-15-28)21-38-35(45)49-36(3,4)5/h7-19,24-25,32,34,44H,20-23H2,1-6H3,(H,37,43)(H,38,45)/t32-,34-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease V82A mutant				J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 BindingDB Entry DOI: 10.7270/Q2BR8WFX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50505274 (CHEMBL2315639) Show SMILES OC(=O)C1CCCN(CCC\C=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 Show InChI InChI=1S/C23H25Cl2NO2/c24-19-11-12-21(22(25)15-19)20-10-4-3-8-17(20)7-2-1-5-13-26-14-6-9-18(16-26)23(27)28/h2-4,7-8,10-12,15,18H,1,5-6,9,13-14,16H2,(H,27,28)/b7-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of NO711 binding to mouse GAT1 receptor expressed in HEK293 cell membranes incubated for 1 hr by LC-ESI-MS/MS analysis				J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 BindingDB Entry DOI: 10.7270/Q2BR8WFX
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484340 (CHEMBL1835512) Show SMILES Clc1cc(Cl)cc(c1)C(=O)c1cc(Br)ccc1OCCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C19H13BrCl2N2O4/c20-12-1-2-16(28-6-5-24-4-3-17(25)23-19(24)27)15(9-12)18(26)11-7-13(21)10-14(22)8-11/h1-4,7-10H,5-6H2,(H,23,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484329 (CHEMBL1835505) Show SMILES Cc1cccc(c1)C(=O)c1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C20H17ClN2O4/c1-13-3-2-4-14(11-13)19(25)16-12-15(21)5-6-17(16)27-10-9-23-8-7-18(24)22-20(23)26/h2-8,11-12H,9-10H2,1H3,(H,22,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50490649 (CHEMBL2337184) Show SMILES Cc1ccc(OCCn2ccc(=O)n(Cc3cc(C)cc(C)c3)c2=O)cc1 Show InChI InChI=1S/C22H24N2O3/c1-16-4-6-20(7-5-16)27-11-10-23-9-8-21(25)24(22(23)26)15-19-13-17(2)12-18(3)14-19/h4-9,12-14H,10-11,15H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 1150-8 (2013) Article DOI: 10.1016/j.bmc.2012.12.027 BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50490643 (CHEMBL2337196) Show SMILES Cc1cc(Br)cc(Cn2c(=O)ccn(C\C=C\c3ccccc3)c2=O)c1 Show InChI InChI=1S/C21H19BrN2O2/c1-16-12-18(14-19(22)13-16)15-24-20(25)9-11-23(21(24)26)10-5-8-17-6-3-2-4-7-17/h2-9,11-14H,10,15H2,1H3/b8-5+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 1150-8 (2013) Article DOI: 10.1016/j.bmc.2012.12.027 BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50490644 (CHEMBL2337195) Show SMILES Brc1cc(Br)cc(Cn2c(=O)ccn(C\C=C\c3ccccc3)c2=O)c1 Show InChI InChI=1S/C20H16Br2N2O2/c21-17-11-16(12-18(22)13-17)14-24-19(25)8-10-23(20(24)26)9-4-7-15-5-2-1-3-6-15/h1-8,10-13H,9,14H2/b7-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 1150-8 (2013) Article DOI: 10.1016/j.bmc.2012.12.027 BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484339 (CHEMBL1835509) Show SMILES Fc1cc(F)cc(c1)C(=O)c1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C19H13ClF2N2O4/c20-12-1-2-16(28-6-5-24-4-3-17(25)23-19(24)27)15(9-12)18(26)11-7-13(21)10-14(22)8-11/h1-4,7-10H,5-6H2,(H,23,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484334 (CHEMBL1835504) Show SMILES Brc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H15BrN2O4/c20-14-6-7-16(15(12-14)18(24)13-4-2-1-3-5-13)26-11-10-22-9-8-17(23)21-19(22)25/h1-9,12H,10-11H2,(H,21,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484342 (CHEMBL1835511) Show SMILES Clc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1cc(Br)cc(Br)c1 Show InChI InChI=1S/C19H13Br2ClN2O4/c20-12-7-11(8-13(21)9-12)18(26)15-10-14(22)1-2-16(15)28-6-5-24-4-3-17(25)23-19(24)27/h1-4,7-10H,5-6H2,(H,23,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484330 (CHEMBL1835507) Show SMILES Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C21H19ClN2O4/c1-13-9-14(2)11-15(10-13)20(26)17-12-16(22)3-4-18(17)28-8-7-24-6-5-19(25)23-21(24)27/h3-6,9-12H,7-8H2,1-2H3,(H,23,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50490669 (CHEMBL2337192) Show SMILES Cc1cc(C)cc(Cn2c(=O)ccn(C\C=C\c3ccccc3)c2=O)c1 Show InChI InChI=1S/C22H22N2O2/c1-17-13-18(2)15-20(14-17)16-24-21(25)10-12-23(22(24)26)11-6-9-19-7-4-3-5-8-19/h3-10,12-15H,11,16H2,1-2H3/b9-6+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 1150-8 (2013) Article DOI: 10.1016/j.bmc.2012.12.027 BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484328 (CHEMBL1835503) Show SMILES Clc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H15ClN2O4/c20-14-6-7-16(15(12-14)18(24)13-4-2-1-3-5-13)26-11-10-22-9-8-17(23)21-19(22)25/h1-9,12H,10-11H2,(H,21,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50490662 (CHEMBL2337194) Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(C\C=C\c3ccccc3)c2=O)c1 Show InChI InChI=1S/C20H16Cl2N2O2/c21-17-11-16(12-18(22)13-17)14-24-19(25)8-10-23(20(24)26)9-4-7-15-5-2-1-3-6-15/h1-8,10-13H,9,14H2/b7-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 1150-8 (2013) Article DOI: 10.1016/j.bmc.2012.12.027 BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484343 (CHEMBL1835510) Show SMILES Clc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H13Cl3N2O4/c20-12-1-2-16(28-6-5-24-4-3-17(25)23-19(24)27)15(10-12)18(26)11-7-13(21)9-14(22)8-11/h1-4,7-10H,5-6H2,(H,23,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50490648 (CHEMBL2337186) Show SMILES Cc1ccc(OCCn2cc(C)c(=O)n(Cc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C21H22N2O3/c1-16-8-10-19(11-9-16)26-13-12-22-14-17(2)20(24)23(21(22)25)15-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 1150-8 (2013) Article DOI: 10.1016/j.bmc.2012.12.027 BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50490646 (CHEMBL2337190) Show SMILES Cc1ccc(OCCn2c3ccccc3c(=O)n(Cc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C24H22N2O3/c1-18-11-13-20(14-12-18)29-16-15-25-22-10-6-5-9-21(22)23(27)26(24(25)28)17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 1150-8 (2013) Article DOI: 10.1016/j.bmc.2012.12.027 BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50490668 (CHEMBL2337189) Show SMILES O=c1ccn(CCOc2ccc3ccccc3c2)c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C23H20N2O3/c26-22-12-13-24(23(27)25(22)17-18-6-2-1-3-7-18)14-15-28-21-11-10-19-8-4-5-9-20(19)16-21/h1-13,16H,14-15,17H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 1150-8 (2013) Article DOI: 10.1016/j.bmc.2012.12.027 BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484332 (CHEMBL1835514) Show SMILES Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1OCCn1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C22H21ClN2O4/c1-13-8-14(2)10-16(9-13)20(26)18-11-17(23)4-5-19(18)29-7-6-25-12-15(3)21(27)24-22(25)28/h4-5,8-12H,6-7H2,1-3H3,(H,24,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484331 (CHEMBL1835508) Show SMILES Cc1cc(C)cc(c1)C(=O)c1cc(Br)ccc1OCCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C21H19BrN2O4/c1-13-9-14(2)11-15(10-13)20(26)17-12-16(22)3-4-18(17)28-8-7-24-6-5-19(25)23-21(24)27/h3-6,9-12H,7-8H2,1-2H3,(H,23,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484337 (CHEMBL1835501) Show SMILES Cc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H18N2O4/c1-14-7-8-17(16(13-14)19(24)15-5-3-2-4-6-15)26-12-11-22-10-9-18(23)21-20(22)25/h2-10,13H,11-12H2,1H3,(H,21,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484324 (CHEMBL1835515) Show SMILES Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1OCCn1c(C)cc(=O)[nH]c1=O Show InChI InChI=1S/C22H21ClN2O4/c1-13-8-14(2)10-16(9-13)21(27)18-12-17(23)4-5-19(18)29-7-6-25-15(3)11-20(26)24-22(25)28/h4-5,8-12H,6-7H2,1-3H3,(H,24,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484338 (CHEMBL1835506) Show SMILES Cc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C22H22N2O4/c1-14-4-5-19(28-9-8-24-7-6-20(25)23-22(24)27)18(13-14)21(26)17-11-15(2)10-16(3)12-17/h4-7,10-13H,8-9H2,1-3H3,(H,23,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484325 (CHEMBL1835499) Show SMILES Cc1cc(C)cc(Cc2cc(Cl)ccc2OCCn2ccc(=O)[nH]c2=O)c1 Show InChI InChI=1S/C21H21ClN2O3/c1-14-9-15(2)11-16(10-14)12-17-13-18(22)3-4-19(17)27-8-7-24-6-5-20(25)23-21(24)26/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484327 (CHEMBL1835502) Show SMILES Fc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H15FN2O4/c20-14-6-7-16(15(12-14)18(24)13-4-2-1-3-5-13)26-11-10-22-9-8-17(23)21-19(22)25/h1-9,12H,10-11H2,(H,21,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484336 (CHEMBL1835498) Show SMILES Cc1ccc(OCCn2ccc(=O)[nH]c2=O)c(Cc2cc(C)cc(C)c2)c1 Show InChI InChI=1S/C22H24N2O3/c1-15-4-5-20(27-9-8-24-7-6-21(25)23-22(24)26)19(13-15)14-18-11-16(2)10-17(3)12-18/h4-7,10-13H,8-9,14H2,1-3H3,(H,23,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484326 (CHEMBL1835500) Show SMILES Cc1cc(C)cc(Cc2cc(Br)ccc2OCCn2ccc(=O)[nH]c2=O)c1 Show InChI InChI=1S/C21H21BrN2O3/c1-14-9-15(2)11-16(10-14)12-17-13-18(22)3-4-19(17)27-8-7-24-6-5-20(25)23-21(24)26/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50063002 (CHEMBL3398101) Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1 Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...				Bioorg Med Chem 23: 1069-81 (2015) Article DOI: 10.1016/j.bmc.2015.01.002 BindingDB Entry DOI: 10.7270/Q2RR20XW
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484341 (CHEMBL1835497) Show SMILES Cc1cccc(Cc2cc(C)ccc2OCCn2ccc(=O)[nH]c2=O)c1 Show InChI InChI=1S/C21H22N2O3/c1-15-4-3-5-17(12-15)14-18-13-16(2)6-7-19(18)26-11-10-23-9-8-20(24)22-21(23)25/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...				Bioorg Med Chem 19: 5794-802 (2011) Article DOI: 10.1016/j.bmc.2011.08.025 BindingDB Entry DOI: 10.7270/Q2057JRG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50490660 (CHEMBL2337187) Show SMILES Cc1ccc(OCCn2ccc(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C21H22N2O3/c1-17-7-9-19(10-8-17)26-16-15-22-13-12-20(24)23(21(22)25)14-11-18-5-3-2-4-6-18/h2-10,12-13H,11,14-16H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 1150-8 (2013) Article DOI: 10.1016/j.bmc.2012.12.027 BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50490642 (CHEMBL2337197) Show SMILES O=c1ccn(C\C=C\c2ccccc2)c(=O)n1Cc1cccc2ccccc12 Show InChI InChI=1S/C24H20N2O2/c27-23-15-17-25(16-7-10-19-8-2-1-3-9-19)24(28)26(23)18-21-13-6-12-20-11-4-5-14-22(20)21/h1-15,17H,16,18H2/b10-7+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 1150-8 (2013) Article DOI: 10.1016/j.bmc.2012.12.027 BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50490665 (CHEMBL2337181) Show SMILES Cc1ccc(OCCn2ccc(=O)n(Cc3cccc(C)c3)c2=O)cc1 Show InChI InChI=1S/C21H22N2O3/c1-16-6-8-19(9-7-16)26-13-12-22-11-10-20(24)23(21(22)25)15-18-5-3-4-17(2)14-18/h3-11,14H,12-13,15H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 1150-8 (2013) Article DOI: 10.1016/j.bmc.2012.12.027 BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 1150-8 (2013) Article DOI: 10.1016/j.bmc.2012.12.027 BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
					More data for this Ligand-Target Pair

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