Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50003875   

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
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476899 (CHEMBL232963) Show SMILES CC(C)(NC(=O)CN)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C25H25Cl2N7O2S/c1-25(2,30-22(35)13-28)10-9-15-3-7-20(18(26)11-15)29-23(36)14-37-24-31-32-33-34(24)21-8-6-17(12-19(21)27)16-4-5-16/h3,6-8,11-12,16H,4-5,13-14,28H2,1-2H3,(H,29,36)(H,30,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476896 (CHEMBL232576) Show SMILES OCCC#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C22H19Cl2N5O2S/c23-17-11-14(3-1-2-10-30)4-8-19(17)25-21(31)13-32-22-26-27-28-29(22)20-9-7-16(12-18(20)24)15-5-6-15/h4,7-9,11-12,15,30H,2,5-6,10,13H2,(H,25,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476904 (CHEMBL232575) Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)C#CCCO Show InChI InChI=1S/C23H23Cl2N5O2S/c1-23(2,3)16-8-10-20(18(25)13-16)30-22(27-28-29-30)33-14-21(32)26-19-9-7-15(12-17(19)24)6-4-5-11-31/h7-10,12-13,31H,5,11,14H2,1-3H3,(H,26,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476889 (CHEMBL232765) Show SMILES CC(C)(O)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C23H21Cl2N5O2S/c1-23(2,32)10-9-14-3-7-19(17(24)11-14)26-21(31)13-33-22-27-28-29-30(22)20-8-6-16(12-18(20)25)15-4-5-15/h3,6-8,11-12,15,32H,4-5,13H2,1-2H3,(H,26,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476891 (CHEMBL233167) Show SMILES CC(C)(CO)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C24H23Cl2N5O2S/c1-24(2,14-32)10-9-15-3-7-20(18(25)11-15)27-22(33)13-34-23-28-29-30-31(23)21-8-6-17(12-19(21)26)16-4-5-16/h3,6-8,11-12,16,32H,4-5,13-14H2,1-2H3,(H,27,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476905 (CHEMBL231980) Show SMILES CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1)C(=O)NS(C)(=O)=O Show InChI InChI=1S/C25H24Cl2N6O4S2/c1-25(2,23(35)30-39(3,36)37)11-10-15-4-8-20(18(26)12-15)28-22(34)14-38-24-29-31-32-33(24)21-9-7-17(13-19(21)27)16-5-6-16/h4,7-9,12-13,16H,5-6,14H2,1-3H3,(H,28,34)(H,30,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476887 (CHEMBL232764) Show SMILES OCC#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C21H17Cl2N5O2S/c22-16-10-13(2-1-9-29)3-7-18(16)24-20(30)12-31-21-25-26-27-28(21)19-8-6-15(11-17(19)23)14-4-5-14/h3,6-8,10-11,14,29H,4-5,9,12H2,(H,24,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476888 (CHEMBL231777) Show SMILES CC(C)(CNCC(O)=O)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C26H26Cl2N6O3S/c1-26(2,15-29-13-24(36)37)10-9-16-3-7-21(19(27)11-16)30-23(35)14-38-25-31-32-33-34(25)22-8-6-18(12-20(22)28)17-4-5-17/h3,6-8,11-12,17,29H,4-5,13-15H2,1-2H3,(H,30,35)(H,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476906 (CHEMBL393423) Show SMILES CC(C)(OCC(O)=O)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C25H23Cl2N5O4S/c1-25(2,36-13-23(34)35)10-9-15-3-7-20(18(26)11-15)28-22(33)14-37-24-29-30-31-32(24)21-8-6-17(12-19(21)27)16-4-5-16/h3,6-8,11-12,16H,4-5,13-14H2,1-2H3,(H,28,33)(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476902 (CHEMBL231981) Show SMILES CC(C)(CC(O)=O)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C25H23Cl2N5O3S/c1-25(2,13-23(34)35)10-9-15-3-7-20(18(26)11-15)28-22(33)14-36-24-29-30-31-32(24)21-8-6-17(12-19(21)27)16-4-5-16/h3,6-8,11-12,16H,4-5,13-14H2,1-2H3,(H,28,33)(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476903 (CHEMBL230188) Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(C)(=O)=O Show InChI InChI=1S/C20H21Cl2N5O3S2/c1-20(2,3)12-5-8-17(15(22)9-12)27-19(24-25-26-27)31-11-18(28)23-16-7-6-13(10-14(16)21)32(4,29)30/h5-10H,11H2,1-4H3,(H,23,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM27607 (4-[3-chloro-4-(2-{[1-(2-chloro-4-cyclopropylphenyl...) Show SMILES CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1)C(O)=O Show InChI InChI=1S/C24H21Cl2N5O3S/c1-24(2,22(33)34)10-9-14-3-7-19(17(25)11-14)27-21(32)13-35-23-28-29-30-31(23)20-8-6-16(12-18(20)26)15-4-5-15/h3,6-8,11-12,15H,4-5,13H2,1-2H3,(H,27,32)(H,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476886 (CHEMBL232962) Show SMILES CC(C)(NCC(O)=O)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C25H24Cl2N6O3S/c1-25(2,28-13-23(35)36)10-9-15-3-7-20(18(26)11-15)29-22(34)14-37-24-30-31-32-33(24)21-8-6-17(12-19(21)27)16-4-5-16/h3,6-8,11-12,16,28H,4-5,13-14H2,1-2H3,(H,29,34)(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476901 (CHEMBL393816) Show SMILES OC(=O)CC#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C22H17Cl2N5O3S/c23-16-10-13(2-1-3-21(31)32)4-8-18(16)25-20(30)12-33-22-26-27-28-29(22)19-9-7-15(11-17(19)24)14-5-6-14/h4,7-11,14H,3,5-6,12H2,(H,25,30)(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476893 (CHEMBL393190) Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(cc1)C(C)(C)C(O)=O Show InChI InChI=1S/C29H29Cl2N5O3S/c1-28(2,3)20-11-13-24(22(31)15-20)36-27(33-34-35-36)40-16-25(37)32-23-12-8-18(14-21(23)30)17-6-9-19(10-7-17)29(4,5)26(38)39/h6-15H,16H2,1-5H3,(H,32,37)(H,38,39)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476885 (CHEMBL231030) Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C19H20Cl2N6O3S2/c1-19(2,3)11-4-7-16(14(21)8-11)27-18(24-25-26-27)31-10-17(28)23-15-6-5-12(9-13(15)20)32(22,29)30/h4-9H,10H2,1-3H3,(H,23,28)(H2,22,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476900 (CHEMBL232961) Show SMILES CC(C)(N)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C23H22Cl2N6OS/c1-23(2,26)10-9-14-3-7-19(17(24)11-14)27-21(32)13-33-22-28-29-30-31(22)20-8-6-16(12-18(20)25)15-4-5-15/h3,6-8,11-12,15H,4-5,13,26H2,1-2H3,(H,27,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476895 (CHEMBL232379) Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)C#CC(O)=O Show InChI InChI=1S/C22H19Cl2N5O3S/c1-22(2,3)14-6-8-18(16(24)11-14)29-21(26-27-28-29)33-12-19(30)25-17-7-4-13(10-15(17)23)5-9-20(31)32/h4,6-8,10-11H,12H2,1-3H3,(H,25,30)(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476910 (CHEMBL393990) Show SMILES OC(=O)C1(CC1)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C24H19Cl2N5O3S/c25-17-11-14(7-8-24(9-10-24)22(33)34)1-5-19(17)27-21(32)13-35-23-28-29-30-31(23)20-6-4-16(12-18(20)26)15-2-3-15/h1,4-6,11-12,15H,2-3,9-10,13H2,(H,27,32)(H,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476907 (CHEMBL393191) Show SMILES Clc1cc(ccc1NC(=O)CSc1nnnn1-c1ccc(cc1Cl)C1CC1)C#C Show InChI InChI=1S/C20H15Cl2N5OS/c1-2-12-3-7-17(15(21)9-12)23-19(28)11-29-20-24-25-26-27(20)18-8-6-14(10-16(18)22)13-4-5-13/h1,3,6-10,13H,4-5,11H2,(H,23,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476898 (CHEMBL232377) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C18H16Cl2N6O3S2/c19-13-8-12(31(21,28)29)4-5-15(13)22-17(27)9-30-18-23-24-25-26(18)16-6-3-11(7-14(16)20)10-1-2-10/h3-8,10H,1-2,9H2,(H,22,27)(H2,21,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476890 (CHEMBL393422) Show SMILES OC(=O)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C21H15Cl2N5O3S/c22-15-9-12(2-8-20(30)31)1-6-17(15)24-19(29)11-32-21-25-26-27-28(21)18-7-5-14(10-16(18)23)13-3-4-13/h1,5-7,9-10,13H,3-4,11H2,(H,24,29)(H,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476897 (CHEMBL232178) Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C20H19Cl2N5O3S/c1-20(2,3)12-5-7-16(14(22)9-12)27-19(24-25-26-27)31-10-17(28)23-15-6-4-11(18(29)30)8-13(15)21/h4-9H,10H2,1-3H3,(H,23,28)(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476908 (CHEMBL232766) Show SMILES CC(C)(OCCN1CCCC1)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C29H32Cl2N6O2S/c1-29(2,39-16-15-36-13-3-4-14-36)12-11-20-5-9-25(23(30)17-20)32-27(38)19-40-28-33-34-35-37(28)26-10-8-22(18-24(26)31)21-6-7-21/h5,8-10,17-18,21H,3-4,6-7,13-16,19H2,1-2H3,(H,32,38)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476894 (CHEMBL230187) Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccccc1Cl Show InChI InChI=1S/C19H19Cl2N5OS/c1-19(2,3)12-8-9-16(14(21)10-12)26-18(23-24-25-26)28-11-17(27)22-15-7-5-4-6-13(15)20/h4-10H,11H2,1-3H3,(H,22,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476909 (CHEMBL232378) Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(CCC(O)=O)cc1Cl Show InChI InChI=1S/C22H23Cl2N5O3S/c1-22(2,3)14-6-8-18(16(24)11-14)29-21(26-27-28-29)33-12-19(30)25-17-7-4-13(10-15(17)23)5-9-20(31)32/h4,6-8,10-11H,5,9,12H2,1-3H3,(H,25,30)(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50476892 (CHEMBL391298) Show SMILES OC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1 Show InChI InChI=1S/C19H15Cl2N5O3S/c20-13-8-12(18(28)29)3-5-15(13)22-17(27)9-30-19-23-24-25-26(19)16-6-4-11(7-14(16)21)10-1-2-10/h3-8,10H,1-2,9H2,(H,22,27)(H,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM27606 (2-{[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]s...) Show SMILES [O-][N+](=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12 Show InChI InChI=1S/C19H14N6O3S/c26-18(20-15-9-3-4-10-17(15)25(27)28)12-29-19-21-22-23-24(19)16-11-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,20,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	766	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay				Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7
					More data for this Ligand-Target Pair