Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'feng' and Initial = 'ts'   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50357427 (CHEMBL1917511) Show SMILES CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1 Show InChI InChI=1S/C19H23N5OS/c1-19(2,3)16-9-15(17(25)22-18-21-14(10-20)12-26-18)24(23-16)11-13-7-5-4-6-8-13/h4-9,12H,10-11,20H2,1-3H3,(H,21,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of CYP2D6-mediated dextromethorphan O-demethylation in human liver microsomes by LCMS analysis				J Med Chem 54: 7713-9 (2011) Article DOI: 10.1021/jm201108k BindingDB Entry DOI: 10.7270/Q20865Q4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50357427 (CHEMBL1917511) Show SMILES CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1 Show InChI InChI=1S/C19H23N5OS/c1-19(2,3)16-9-15(17(25)22-18-21-14(10-20)12-26-18)24(23-16)11-13-7-5-4-6-8-13/h4-9,12H,10-11,20H2,1-3H3,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of CYP1A2-mediated phencetin o-de-ethylation in human liver microsomes by LCMS analysis				J Med Chem 54: 7713-9 (2011) Article DOI: 10.1021/jm201108k BindingDB Entry DOI: 10.7270/Q20865Q4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50496040 (CHEMBL3120287) Show SMILES CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C22H30N6OS/c1-23-22-25-18-15-19(30-20(18)21(26-22)24-9-4-10-27(2)3)16-5-7-17(8-6-16)28-11-13-29-14-12-28/h5-8,15H,4,9-14H2,1-3H3,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Binding affinity to full length human ERG expressed in CHO cells after 6 to 7 mins by IonWorks assay				J Med Chem 57: 1014-22 (2014) Article DOI: 10.1021/jm401760c BindingDB Entry DOI: 10.7270/Q2NG4TMV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50496036 (CHEMBL3120293) Show SMILES CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc2nonc2c1 Show InChI InChI=1S/C18H21N7OS/c1-19-18-21-14-10-15(11-5-6-12-13(9-11)24-26-23-12)27-16(14)17(22-18)20-7-4-8-25(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Binding affinity to full length human ERG expressed in CHO cells after 6 to 7 mins by IonWorks assay				J Med Chem 57: 1014-22 (2014) Article DOI: 10.1021/jm401760c BindingDB Entry DOI: 10.7270/Q2NG4TMV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400228 (CHEMBL2181495) Show SMILES COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(=O)(=O)NC1CC1 Show InChI InChI=1S/C20H20N4O3S/c1-27-19-9-4-14(11-22-19)18-10-15(12-23-20(18)21)13-2-7-17(8-3-13)28(25,26)24-16-5-6-16/h2-4,7-12,16,24H,5-6H2,1H3,(H2,21,23)	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay				J Med Chem 55: 11022-30 (2012) Article DOI: 10.1021/jm301476b BindingDB Entry DOI: 10.7270/Q2F76DQQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50122019 (CHEMBL3120274) Show SMILES CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H22F3N5S/c1-23-18-25-14-11-15(12-5-7-13(8-6-12)19(20,21)22)28-16(14)17(26-18)24-9-4-10-27(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Binding affinity to full length human ERG expressed in CHO cells after 6 to 7 mins by IonWorks assay				J Med Chem 57: 1014-22 (2014) Article DOI: 10.1021/jm401760c BindingDB Entry DOI: 10.7270/Q2NG4TMV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50496037 (CHEMBL3120280) Show SMILES CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H22F3N5OS/c1-23-18-25-14-11-15(12-5-7-13(8-6-12)28-19(20,21)22)29-16(14)17(26-18)24-9-4-10-27(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Cape Town Curated by ChEMBL					Assay Description Binding affinity to full length human ERG expressed in CHO cells after 6 to 7 mins by IonWorks assay				J Med Chem 57: 1014-22 (2014) Article DOI: 10.1021/jm401760c BindingDB Entry DOI: 10.7270/Q2NG4TMV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400227 (CHEMBL2181489) Show SMILES Nc1ncc(cc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H20F3N3O2/c24-23(25,26)19-7-5-16(6-8-19)20-13-18(14-28-21(20)27)15-1-3-17(4-2-15)22(30)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2,(H2,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay				J Med Chem 55: 11022-30 (2012) Article DOI: 10.1021/jm301476b BindingDB Entry DOI: 10.7270/Q2F76DQQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50385911 (CHEMBL531475 | TCMDC-133351) Show SMILES COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H17N3O3S/c1-24-17-8-5-13(10-20-17)16-9-14(11-21-18(16)19)12-3-6-15(7-4-12)25(2,22)23/h3-11H,1-2H3,(H2,19,21)	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by IonWorks assay				J Med Chem 55: 3479-87 (2012) Article DOI: 10.1021/jm3001373 BindingDB Entry DOI: 10.7270/Q2V125T9
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357427 (CHEMBL1917511) Show SMILES CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1 Show InChI InChI=1S/C19H23N5OS/c1-19(2,3)16-9-15(17(25)22-18-21-14(10-20)12-26-18)24(23-16)11-13-7-5-4-6-8-13/h4-9,12H,10-11,20H2,1-3H3,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in Chinese hamster CHL cells by perforated patch clamp assay				J Med Chem 54: 7713-9 (2011) Article DOI: 10.1021/jm201108k BindingDB Entry DOI: 10.7270/Q20865Q4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50385912 (CHEMBL2041980) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by IonWorks assay				J Med Chem 55: 3479-87 (2012) Article DOI: 10.1021/jm3001373 BindingDB Entry DOI: 10.7270/Q2V125T9
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400226 (CHEMBL2181298) Show SMILES Nc1ncc(cc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCNCC1 Show InChI InChI=1S/C23H21F3N4O/c24-23(25,26)19-7-5-16(6-8-19)20-13-18(14-29-21(20)27)15-1-3-17(4-2-15)22(31)30-11-9-28-10-12-30/h1-8,13-14,28H,9-12H2,(H2,27,29)	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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay				J Med Chem 55: 11022-30 (2012) Article DOI: 10.1021/jm301476b BindingDB Entry DOI: 10.7270/Q2F76DQQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50496039 (CHEMBL3120281) Show SMILES CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc(OC)nc1 Show InChI InChI=1S/C18H24N6OS/c1-19-18-22-13-10-14(12-6-7-15(25-4)21-11-12)26-16(13)17(23-18)20-8-5-9-24(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H2,19,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Binding affinity to full length human ERG expressed in CHO cells after 6 to 7 mins by IonWorks assay				J Med Chem 57: 1014-22 (2014) Article DOI: 10.1021/jm401760c BindingDB Entry DOI: 10.7270/Q2NG4TMV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400225 (CHEMBL2181490) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C23H22F3N5O/c1-30-8-10-31(11-9-30)22(32)16-4-2-15(3-5-16)18-12-19(21(27)29-14-18)17-6-7-20(28-13-17)23(24,25)26/h2-7,12-14H,8-11H2,1H3,(H2,27,29)	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	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay				J Med Chem 55: 11022-30 (2012) Article DOI: 10.1021/jm301476b BindingDB Entry DOI: 10.7270/Q2F76DQQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50496038 (CHEMBL3120265) Show SMILES CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccccc1 Show InChI InChI=1S/C18H23N5S/c1-19-18-21-14-12-15(13-8-5-4-6-9-13)24-16(14)17(22-18)20-10-7-11-23(2)3/h4-6,8-9,12H,7,10-11H2,1-3H3,(H2,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Binding affinity to full length human ERG expressed in CHO cells after 6 to 7 mins by IonWorks assay				J Med Chem 57: 1014-22 (2014) Article DOI: 10.1021/jm401760c BindingDB Entry DOI: 10.7270/Q2NG4TMV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400224 (CHEMBL2181492) Show SMILES COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(=O)(=O)N(C)C Show InChI InChI=1S/C19H20N4O3S/c1-23(2)27(24,25)16-7-4-13(5-8-16)15-10-17(19(20)22-12-15)14-6-9-18(26-3)21-11-14/h4-12H,1-3H3,(H2,20,22)	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	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay				J Med Chem 55: 11022-30 (2012) Article DOI: 10.1021/jm301476b BindingDB Entry DOI: 10.7270/Q2F76DQQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50357427 (CHEMBL1917511) Show SMILES CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1 Show InChI InChI=1S/C19H23N5OS/c1-19(2,3)16-9-15(17(25)22-18-21-14(10-20)12-26-18)24(23-16)11-13-7-5-4-6-8-13/h4-9,12H,10-11,20H2,1-3H3,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of CYP2C9-mediated Tolbutamide methlyhydroxylation in human liver microsomes by LCMS analysis				J Med Chem 54: 7713-9 (2011) Article DOI: 10.1021/jm201108k BindingDB Entry DOI: 10.7270/Q20865Q4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400223 (CHEMBL2181497) Show SMILES COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H25N5O3S/c1-26-9-11-27(12-10-26)31(28,29)19-6-3-16(4-7-19)18-13-20(22(23)25-15-18)17-5-8-21(30-2)24-14-17/h3-8,13-15H,9-12H2,1-2H3,(H2,23,25)	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	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay				J Med Chem 55: 11022-30 (2012) Article DOI: 10.1021/jm301476b BindingDB Entry DOI: 10.7270/Q2F76DQQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400230 (CHEMBL2181481) Show SMILES COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C20H20N4O2/c1-24(2)20(25)14-6-4-13(5-7-14)16-10-17(19(21)23-12-16)15-8-9-18(26-3)22-11-15/h4-12H,1-3H3,(H2,21,23)	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	>1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay				J Med Chem 55: 11022-30 (2012) Article DOI: 10.1021/jm301476b BindingDB Entry DOI: 10.7270/Q2F76DQQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400232 (CHEMBL2181493) Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(OC)nc1 Show InChI InChI=1S/C18H18N4O3S/c1-20-26(23,24)15-6-3-12(4-7-15)14-9-16(18(19)22-11-14)13-5-8-17(25-2)21-10-13/h3-11,20H,1-2H3,(H2,19,22)	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	>1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay				J Med Chem 55: 11022-30 (2012) Article DOI: 10.1021/jm301476b BindingDB Entry DOI: 10.7270/Q2F76DQQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400231 (CHEMBL2181496) Show SMILES COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C21H22N4O4S/c1-28-20-7-4-16(13-23-20)19-12-17(14-24-21(19)22)15-2-5-18(6-3-15)30(26,27)25-8-10-29-11-9-25/h2-7,12-14H,8-11H2,1H3,(H2,22,24)	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	>1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay				J Med Chem 55: 11022-30 (2012) Article DOI: 10.1021/jm301476b BindingDB Entry DOI: 10.7270/Q2F76DQQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400229 (CHEMBL2181487) Show SMILES COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C22H22N4O3/c1-28-20-7-6-17(13-24-20)19-12-18(14-25-21(19)23)15-2-4-16(5-3-15)22(27)26-8-10-29-11-9-26/h2-7,12-14H,8-11H2,1H3,(H2,23,25)	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	>1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay				J Med Chem 55: 11022-30 (2012) Article DOI: 10.1021/jm301476b BindingDB Entry DOI: 10.7270/Q2F76DQQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50357427 (CHEMBL1917511) Show SMILES CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1 Show InChI InChI=1S/C19H23N5OS/c1-19(2,3)16-9-15(17(25)22-18-21-14(10-20)12-26-18)24(23-16)11-13-7-5-4-6-8-13/h4-9,12H,10-11,20H2,1-3H3,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of CYP2C19-mediated (S)-mephenytoin 4'-hydroxylation in human liver microsomes by LCMS analysis				J Med Chem 54: 7713-9 (2011) Article DOI: 10.1021/jm201108k BindingDB Entry DOI: 10.7270/Q20865Q4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400236 (CHEMBL2181296) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H23F3N4O/c1-30-10-12-31(13-11-30)23(32)18-4-2-16(3-5-18)19-14-21(22(28)29-15-19)17-6-8-20(9-7-17)24(25,26)27/h2-9,14-15H,10-13H2,1H3,(H2,28,29)	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	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay				J Med Chem 55: 11022-30 (2012) Article DOI: 10.1021/jm301476b BindingDB Entry DOI: 10.7270/Q2F76DQQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400235 (CHEMBL2181297) Show SMILES Nc1ncc(cc1-c1ccc(nc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCNCC1 Show InChI InChI=1S/C22H20F3N5O/c23-22(24,25)19-6-5-16(12-28-19)18-11-17(13-29-20(18)26)14-1-3-15(4-2-14)21(31)30-9-7-27-8-10-30/h1-6,11-13,27H,7-10H2,(H2,26,29)	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	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay				J Med Chem 55: 11022-30 (2012) Article DOI: 10.1021/jm301476b BindingDB Entry DOI: 10.7270/Q2F76DQQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400234 (CHEMBL2181488) Show SMILES Nc1ncc(cc1-c1ccc(nc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C22H19F3N4O2/c23-22(24,25)19-6-5-16(12-27-19)18-11-17(13-28-20(18)26)14-1-3-15(4-2-14)21(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2,(H2,26,28)	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	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay				J Med Chem 55: 11022-30 (2012) Article DOI: 10.1021/jm301476b BindingDB Entry DOI: 10.7270/Q2F76DQQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400233 (CHEMBL2181486) Show SMILES COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H25N5O2/c1-27-9-11-28(12-10-27)23(29)17-5-3-16(4-6-17)19-13-20(22(24)26-15-19)18-7-8-21(30-2)25-14-18/h3-8,13-15H,9-12H2,1-2H3,(H2,24,26)	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	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay				J Med Chem 55: 11022-30 (2012) Article DOI: 10.1021/jm301476b BindingDB Entry DOI: 10.7270/Q2F76DQQ
					More data for this Ligand-Target Pair