Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'lemm' and Initial = 'ja'   

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
RNA-directed RNA polymerase (Hepacivirus C)	BDBM50484982 (CHEMBL2017865) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ncccc5OCCn4c3c2)cc1 Show InChI InChI=1S/C37H38N4O5/c42-31(43)17-12-24-10-14-27(15-11-24)39-36(45)37(18-4-5-19-37)40-35(44)26-13-16-28-29(23-26)41-21-22-46-30-9-6-20-38-33(30)34(41)32(28)25-7-2-1-3-8-25/h6,9-17,20,23,25H,1-5,7-8,18-19,21-22H2,(H,39,45)(H,40,44)(H,42,43)/b17-12+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>600	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant				Bioorg Med Chem Lett 22: 2866-71 (2012) Article DOI: 10.1016/j.bmcl.2012.02.063 BindingDB Entry DOI: 10.7270/Q2NK3HWC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepacivirus C)	BDBM50484986 (CHEMBL2017863) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5cccnc5CCCn4c3c2)cc1 Show InChI InChI=1S/C38H40N4O4/c43-33(44)19-14-25-12-16-28(17-13-25)40-37(46)38(20-4-5-21-38)41-36(45)27-15-18-30-32(24-27)42-23-7-11-31-29(10-6-22-39-31)35(42)34(30)26-8-2-1-3-9-26/h6,10,12-19,22,24,26H,1-5,7-9,11,20-21,23H2,(H,40,46)(H,41,45)(H,43,44)/b19-14+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant				Bioorg Med Chem Lett 22: 2866-71 (2012) Article DOI: 10.1016/j.bmcl.2012.02.063 BindingDB Entry DOI: 10.7270/Q2NK3HWC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepacivirus C)	BDBM50484981 (CHEMBL2017862) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5nccnc5CCCn4c3c2)cc1 Show InChI InChI=1S/C37H39N5O4/c43-31(44)17-12-24-10-14-27(15-11-24)40-36(46)37(18-4-5-19-37)41-35(45)26-13-16-28-30(23-26)42-22-6-9-29-33(39-21-20-38-29)34(42)32(28)25-7-2-1-3-8-25/h10-17,20-21,23,25H,1-9,18-19,22H2,(H,40,46)(H,41,45)(H,43,44)/b17-12+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant				Bioorg Med Chem Lett 22: 2866-71 (2012) Article DOI: 10.1016/j.bmcl.2012.02.063 BindingDB Entry DOI: 10.7270/Q2NK3HWC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepacivirus C)	BDBM50484983 (CHEMBL2017866) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5cccnc5OCCn4c3c2)cc1 Show InChI InChI=1S/C37H38N4O5/c42-31(43)17-12-24-10-14-27(15-11-24)39-36(45)37(18-4-5-19-37)40-34(44)26-13-16-28-30(23-26)41-21-22-46-35-29(9-6-20-38-35)33(41)32(28)25-7-2-1-3-8-25/h6,9-17,20,23,25H,1-5,7-8,18-19,21-22H2,(H,39,45)(H,40,44)(H,42,43)/b17-12+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant				Bioorg Med Chem Lett 22: 2866-71 (2012) Article DOI: 10.1016/j.bmcl.2012.02.063 BindingDB Entry DOI: 10.7270/Q2NK3HWC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepacivirus C)	BDBM50484985 (CHEMBL2017864) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ncccc5NC(=O)Cn4c3c2)cc1 Show InChI InChI=1S/C37H37N5O5/c43-30-22-42-29-21-25(13-16-27(29)32(24-7-2-1-3-8-24)34(42)33-28(40-30)9-6-20-38-33)35(46)41-37(18-4-5-19-37)36(47)39-26-14-10-23(11-15-26)12-17-31(44)45/h6,9-17,20-21,24H,1-5,7-8,18-19,22H2,(H,39,47)(H,40,43)(H,41,46)(H,44,45)/b17-12+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant				Bioorg Med Chem Lett 22: 2866-71 (2012) Article DOI: 10.1016/j.bmcl.2012.02.063 BindingDB Entry DOI: 10.7270/Q2NK3HWC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepacivirus C)	BDBM50484977 (CHEMBL2017856) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ccccc5CCCn4c3c2)cc1 Show InChI InChI=1S/C39H41N3O4/c43-34(44)21-16-26-14-18-30(19-15-26)40-38(46)39(22-6-7-23-39)41-37(45)29-17-20-32-33(25-29)42-24-8-12-27-9-4-5-13-31(27)36(42)35(32)28-10-2-1-3-11-28/h4-5,9,13-21,25,28H,1-3,6-8,10-12,22-24H2,(H,40,46)(H,41,45)(H,43,44)/b21-16+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant				Bioorg Med Chem Lett 22: 2866-71 (2012) Article DOI: 10.1016/j.bmcl.2012.02.063 BindingDB Entry DOI: 10.7270/Q2NK3HWC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepacivirus C)	BDBM50484984 (CHEMBL2017858) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ccoc5CCCn4c3c2)cc1 Show InChI InChI=1S/C37H39N3O5/c41-32(42)17-12-24-10-14-27(15-11-24)38-36(44)37(19-4-5-20-37)39-35(43)26-13-16-28-30(23-26)40-21-6-9-31-29(18-22-45-31)34(40)33(28)25-7-2-1-3-8-25/h10-18,22-23,25H,1-9,19-21H2,(H,38,44)(H,39,43)(H,41,42)/b17-12+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant				Bioorg Med Chem Lett 22: 2866-71 (2012) Article DOI: 10.1016/j.bmcl.2012.02.063 BindingDB Entry DOI: 10.7270/Q2NK3HWC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepacivirus C)	BDBM50484980 (CHEMBL2017861) Show SMILES Nc1nc-2c(CCCn3c-2c(C2CCCCC2)c2ccc(cc32)C(=O)NC2(CCCC2)C(=O)Nc2ccc(\C=C\C(O)=O)cc2)s1 Show InChI InChI=1S/C36H39N5O4S/c37-35-39-31-28(46-35)9-6-20-41-27-21-24(13-16-26(27)30(32(31)41)23-7-2-1-3-8-23)33(44)40-36(18-4-5-19-36)34(45)38-25-14-10-22(11-15-25)12-17-29(42)43/h10-17,21,23H,1-9,18-20H2,(H2,37,39)(H,38,45)(H,40,44)(H,42,43)/b17-12+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant				Bioorg Med Chem Lett 22: 2866-71 (2012) Article DOI: 10.1016/j.bmcl.2012.02.063 BindingDB Entry DOI: 10.7270/Q2NK3HWC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepacivirus C)	BDBM50484979 (CHEMBL2017860) Show SMILES Cc1nc-2c(CCCn3c-2c(C2CCCCC2)c2ccc(cc32)C(=O)NC2(CCCC2)C(=O)Nc2ccc(\C=C\C(O)=O)cc2)s1 Show InChI InChI=1S/C37H40N4O4S/c1-23-38-33-30(46-23)10-7-21-41-29-22-26(14-17-28(29)32(34(33)41)25-8-3-2-4-9-25)35(44)40-37(19-5-6-20-37)36(45)39-27-15-11-24(12-16-27)13-18-31(42)43/h11-18,22,25H,2-10,19-21H2,1H3,(H,39,45)(H,40,44)(H,42,43)/b18-13+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant				Bioorg Med Chem Lett 22: 2866-71 (2012) Article DOI: 10.1016/j.bmcl.2012.02.063 BindingDB Entry DOI: 10.7270/Q2NK3HWC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepacivirus C)	BDBM50484978 (CHEMBL2017857) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ncoc5CCCn4c3c2)cc1 Show InChI InChI=1S/C36H38N4O5/c41-30(42)17-12-23-10-14-26(15-11-23)38-35(44)36(18-4-5-19-36)39-34(43)25-13-16-27-28(21-25)40-20-6-9-29-32(37-22-45-29)33(40)31(27)24-7-2-1-3-8-24/h10-17,21-22,24H,1-9,18-20H2,(H,38,44)(H,39,43)(H,41,42)/b17-12+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant				Bioorg Med Chem Lett 22: 2866-71 (2012) Article DOI: 10.1016/j.bmcl.2012.02.063 BindingDB Entry DOI: 10.7270/Q2NK3HWC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50496099 (CHEMBL3121151) Show SMILES CCN(CC)[C@@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)OC)c1ccccc1 |r| Show InChI InChI=1S/C43H50N8O4/c1-5-49(6-2)38(33-12-8-7-9-13-33)42(53)51-25-11-15-37(51)40-45-27-35(48-40)32-22-18-30(19-23-32)29-16-20-31(21-17-29)34-26-44-39(47-34)36-14-10-24-50(36)41(52)28(3)46-43(54)55-4/h7-9,12-13,16-23,26-28,36-38H,5-6,10-11,14-15,24-25H2,1-4H3,(H,44,47)(H,45,48)(H,46,54)/t28-,36-,37-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG by whole cell patch clamp assay				J Med Chem 57: 2013-32 (2014) Article DOI: 10.1021/jm401836p BindingDB Entry DOI: 10.7270/Q28918V3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50142902 (CHEMBL3760108) Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)CC(C)C)-c1ccc(OC)cc21)C(=O)N1C2CCC1CN(C)C2 |r| Show InChI InChI=1S/C38H48N4O5S/c1-23(2)21-48(45,46)39-36(43)25-10-14-30-33(16-25)41-22-38(37(44)42-26-11-12-27(42)20-40(3)19-26)18-32(38)31-17-28(47-4)13-15-29(31)35(41)34(30)24-8-6-5-7-9-24/h10,13-17,23-24,26-27,32H,5-9,11-12,18-22H2,1-4H3,(H,39,43)/t26?,27?,32-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 26: 936-40 (2016) Article DOI: 10.1016/j.bmcl.2015.12.058 BindingDB Entry DOI: 10.7270/Q2ZG6V33
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50268397 (CHEMBL4067852) Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)C1(C)CC1)-c1ccc(F)cc21)C(=O)N1C2CCC1CN(C)C2 |r,TLB:37:39:47.45.44:41.42,THB:46:45:39:41.42| Show InChI InChI=1S/C37H43FN4O4S/c1-36(14-15-36)47(45,46)39-34(43)23-8-12-28-31(16-23)41-21-37(35(44)42-25-10-11-26(42)20-40(2)19-25)18-30(37)29-17-24(38)9-13-27(29)33(41)32(28)22-6-4-3-5-7-22/h8-9,12-13,16-17,22,25-26,30H,3-7,10-11,14-15,18-21H2,1-2H3,(H,39,43)/t25?,26?,30-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry and Molecular Technologies, Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492, United States. Electronic address: zhizhenZheng Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase beta				Bioorg Med Chem Lett 27: 3294-3300 (2017) Article DOI: 10.1016/j.bmcl.2017.06.024 BindingDB Entry DOI: 10.7270/Q20004KW
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50268397 (CHEMBL4067852) Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)C1(C)CC1)-c1ccc(F)cc21)C(=O)N1C2CCC1CN(C)C2 |r,TLB:37:39:47.45.44:41.42,THB:46:45:39:41.42| Show InChI InChI=1S/C37H43FN4O4S/c1-36(14-15-36)47(45,46)39-34(43)23-8-12-28-31(16-23)41-21-37(35(44)42-25-10-11-26(42)20-40(2)19-25)18-30(37)29-17-24(38)9-13-27(29)33(41)32(28)22-6-4-3-5-7-22/h8-9,12-13,16-17,22,25-26,30H,3-7,10-11,14-15,18-21H2,1-2H3,(H,39,43)/t25?,26?,30-,37-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry and Molecular Technologies, Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492, United States. Electronic address: zhizhenZheng Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase alpha				Bioorg Med Chem Lett 27: 3294-3300 (2017) Article DOI: 10.1016/j.bmcl.2017.06.024 BindingDB Entry DOI: 10.7270/Q20004KW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50448498 (BMS-791325 | Beclabuvir) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1C2CCC1CN(C)C2)C(=O)NS(=O)(=O)N(C)C |r,THB:36:35:29:31.32| Show InChI InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24?,25?,30-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 26: 936-40 (2016) Article DOI: 10.1016/j.bmcl.2015.12.058 BindingDB Entry DOI: 10.7270/Q2ZG6V33
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50387084 (BMS-790052 | DACLATASVIR) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG by whole cell patch clamp assay				J Med Chem 57: 2013-32 (2014) Article DOI: 10.1021/jm401836p BindingDB Entry DOI: 10.7270/Q28918V3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50142900 (CHEMBL3759768) Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)C1CCC1)-c1ccc(OC)cc21)C(=O)N1C2CCC1CN(C)C2 |r| Show InChI InChI=1S/C38H46N4O5S/c1-40-20-25-12-13-26(21-40)42(25)37(44)38-19-32(38)31-18-27(47-2)14-16-29(31)35-34(23-7-4-3-5-8-23)30-15-11-24(17-33(30)41(35)22-38)36(43)39-48(45,46)28-9-6-10-28/h11,14-18,23,25-26,28,32H,3-10,12-13,19-22H2,1-2H3,(H,39,43)/t25?,26?,32-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 26: 936-40 (2016) Article DOI: 10.1016/j.bmcl.2015.12.058 BindingDB Entry DOI: 10.7270/Q2ZG6V33
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50142901 (CHEMBL3758288) Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)C(C)C)-c1ccc(OC)cc21)C(=O)N1C2CCC1CN(C)C2 |r| Show InChI InChI=1S/C37H46N4O5S/c1-22(2)47(44,45)38-35(42)24-10-14-29-32(16-24)40-21-37(36(43)41-25-11-12-26(41)20-39(3)19-25)18-31(37)30-17-27(46-4)13-15-28(30)34(40)33(29)23-8-6-5-7-9-23/h10,13-17,22-23,25-26,31H,5-9,11-12,18-21H2,1-4H3,(H,38,42)/t25?,26?,31-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 26: 936-40 (2016) Article DOI: 10.1016/j.bmcl.2015.12.058 BindingDB Entry DOI: 10.7270/Q2ZG6V33
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50268398 (CHEMBL4061940) Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)C(C)(C)C)-c1ccc(F)cc21)C(=O)N1C2CCC1CN(C)C2 |r,TLB:37:39:47.45.44:41.42,THB:46:45:39:41.42| Show InChI InChI=1S/C37H45FN4O4S/c1-36(2,3)47(45,46)39-34(43)23-10-14-28-31(16-23)41-21-37(35(44)42-25-12-13-26(42)20-40(4)19-25)18-30(37)29-17-24(38)11-15-27(29)33(41)32(28)22-8-6-5-7-9-22/h10-11,14-17,22,25-26,30H,5-9,12-13,18-21H2,1-4H3,(H,39,43)/t25?,26?,30-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a
Department of Discovery Chemistry and Molecular Technologies, Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492, United States. Electronic address: zhizhenZheng Curated by ChEMBL					Assay Description Activation of PXR in human hepatocytes assessed as induction of CYP450 expression				Bioorg Med Chem Lett 27: 3294-3300 (2017) Article DOI: 10.1016/j.bmcl.2017.06.024 BindingDB Entry DOI: 10.7270/Q20004KW
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50142901 (CHEMBL3758288) Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)C(C)C)-c1ccc(OC)cc21)C(=O)N1C2CCC1CN(C)C2 |r| Show InChI InChI=1S/C37H46N4O5S/c1-22(2)47(44,45)38-35(42)24-10-14-29-32(16-24)40-21-37(36(43)41-25-11-12-26(41)20-39(3)19-25)18-31(37)30-17-27(46-4)13-15-28(30)34(40)33(29)23-8-6-5-7-9-23/h10,13-17,22-23,25-26,31H,5-9,11-12,18-21H2,1-4H3,(H,38,42)/t25?,26?,31-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Department of Discovery Chemistry and Molecular Technologies, Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492, United States. Electronic address: zhizhenZheng Curated by ChEMBL					Assay Description Activation of PXR in human hepatocytes assessed as induction of CYP450 expression				Bioorg Med Chem Lett 27: 3294-3300 (2017) Article DOI: 10.1016/j.bmcl.2017.06.024 BindingDB Entry DOI: 10.7270/Q20004KW
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50268399 (CHEMBL4094467) Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)CC)-c1ccc(F)cc21)C(=O)N1C2CCC1CN(C)C2 |r,TLB:35:37:45.43.42:39.40,THB:44:43:37:39.40| Show InChI InChI=1S/C35H41FN4O4S/c1-3-45(43,44)37-33(41)22-9-13-27-30(15-22)39-20-35(34(42)40-24-11-12-25(40)19-38(2)18-24)17-29(35)28-16-23(36)10-14-26(28)32(39)31(27)21-7-5-4-6-8-21/h9-10,13-16,21,24-25,29H,3-8,11-12,17-20H2,1-2H3,(H,37,41)/t24?,25?,29-,35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a
Department of Discovery Chemistry and Molecular Technologies, Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492, United States. Electronic address: zhizhenZheng Curated by ChEMBL					Assay Description Activation of PXR in human hepatocytes assessed as induction of CYP450 expression				Bioorg Med Chem Lett 27: 3294-3300 (2017) Article DOI: 10.1016/j.bmcl.2017.06.024 BindingDB Entry DOI: 10.7270/Q20004KW
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50268400 (CHEMBL4081189) Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(C)(=O)=O)-c1ccc(F)cc21)C(=O)N1C2CCC1CN(C)C2 |r,TLB:34:36:44.42.41:38.39,THB:43:42:36:38.39| Show InChI InChI=1S/C34H39FN4O4S/c1-37-17-23-10-11-24(18-37)39(23)33(41)34-16-28(34)27-15-22(35)9-13-25(27)31-30(20-6-4-3-5-7-20)26-12-8-21(14-29(26)38(31)19-34)32(40)36-44(2,42)43/h8-9,12-15,20,23-24,28H,3-7,10-11,16-19H2,1-2H3,(H,36,40)/t23?,24?,28-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.33E+3	n/a	n/a	n/a	n/a
Department of Discovery Chemistry and Molecular Technologies, Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492, United States. Electronic address: zhizhenZheng Curated by ChEMBL					Assay Description Activation of PXR in human hepatocytes assessed as induction of CYP450 expression				Bioorg Med Chem Lett 27: 3294-3300 (2017) Article DOI: 10.1016/j.bmcl.2017.06.024 BindingDB Entry DOI: 10.7270/Q20004KW
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50268401 (CHEMBL4105584) Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)N(C)C)-c1ccc(OC)cc21)C(=O)N1[C@@]2([H])CC[C@]1([H])CN(C)C2 |r,TLB:37:39:46.47.49:43.42,THB:48:47:39:43.42| Show InChI InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24-,25+,30-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Department of Discovery Chemistry and Molecular Technologies, Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492, United States. Electronic address: zhizhenZheng Curated by ChEMBL					Assay Description Activation of PXR in human hepatocytes assessed as induction of CYP450 expression				Bioorg Med Chem Lett 27: 3294-3300 (2017) Article DOI: 10.1016/j.bmcl.2017.06.024 BindingDB Entry DOI: 10.7270/Q20004KW
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50268397 (CHEMBL4067852) Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)C1(C)CC1)-c1ccc(F)cc21)C(=O)N1C2CCC1CN(C)C2 |r,TLB:37:39:47.45.44:41.42,THB:46:45:39:41.42| Show InChI InChI=1S/C37H43FN4O4S/c1-36(14-15-36)47(45,46)39-34(43)23-8-12-28-31(16-23)41-21-37(35(44)42-25-10-11-26(42)20-40(2)19-25)18-30(37)29-17-24(38)9-13-27(29)33(41)32(28)22-6-4-3-5-7-22/h8-9,12-13,16-17,22,25-26,30H,3-7,10-11,14-15,18-21H2,1-2H3,(H,39,43)/t25?,26?,30-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a
Department of Discovery Chemistry and Molecular Technologies, Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492, United States. Electronic address: zhizhenZheng Curated by ChEMBL					Assay Description Activation of PXR in human hepatocytes assessed as induction of CYP450 expression				Bioorg Med Chem Lett 27: 3294-3300 (2017) Article DOI: 10.1016/j.bmcl.2017.06.024 BindingDB Entry DOI: 10.7270/Q20004KW
					More data for this Ligand-Target Pair