Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50039983   

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
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM50387290 (CHEMBL2048855) Show SMILES Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM50387288 (CHEMBL2048853) Show SMILES CC(Sc1ccc(nn1)-c1ccccc1)C(=O)N(C1CC1)c1nc(C)cs1 Show InChI InChI=1S/C20H20N4OS2/c1-13-12-26-20(21-13)24(16-8-9-16)19(25)14(2)27-18-11-10-17(22-23-18)15-6-4-3-5-7-15/h3-7,10-12,14,16H,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM50387291 (CHEMBL2048856) Show SMILES Cc1csc(n1)N(C1CCC1)C(=O)CSc1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C20H20N4OS2/c1-14-12-27-20(21-14)24(16-8-5-9-16)19(25)13-26-18-11-10-17(22-23-18)15-6-3-2-4-7-15/h2-4,6-7,10-12,16H,5,8-9,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM50387285 (CHEMBL2048846) Show SMILES CN(C(=O)CSc1ccc(nn1)-c1ccccc1)c1nc(C)cs1 Show InChI InChI=1S/C17H16N4OS2/c1-12-10-24-17(18-12)21(2)16(22)11-23-15-9-8-14(19-20-15)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	537	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM43891 (N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin...) Show SMILES Cc1csc(NC(=O)CSc2ccc(nn2)-c2ccccc2)n1 Show InChI InChI=1S/C16H14N4OS2/c1-11-9-23-16(17-11)18-14(21)10-22-15-8-7-13(19-20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	568	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM50387288 (CHEMBL2048853) Show SMILES CC(Sc1ccc(nn1)-c1ccccc1)C(=O)N(C1CC1)c1nc(C)cs1 Show InChI InChI=1S/C20H20N4OS2/c1-13-12-26-20(21-13)24(16-8-9-16)19(25)14(2)27-18-11-10-17(22-23-18)15-6-4-3-5-7-15/h3-7,10-12,14,16H,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM50387288 (CHEMBL2048853) Show SMILES CC(Sc1ccc(nn1)-c1ccccc1)C(=O)N(C1CC1)c1nc(C)cs1 Show InChI InChI=1S/C20H20N4OS2/c1-13-12-26-20(21-13)24(16-8-9-16)19(25)14(2)27-18-11-10-17(22-23-18)15-6-4-3-5-7-15/h3-7,10-12,14,16H,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM50387293 (CHEMBL2048858) Show SMILES CCCN1C(N)C(C(=O)CSc2nnc(Cc3ccccc3)o2)C(=O)N(C)C1=O Show InChI InChI=1S/C19H23N5O4S/c1-3-9-24-16(20)15(17(26)23(2)19(24)27)13(25)11-29-18-22-21-14(28-18)10-12-7-5-4-6-8-12/h4-8,15-16H,3,9-11,20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM50387289 (CHEMBL2048854) Show SMILES CCC(Sc1ccc(nn1)-c1ccccc1)C(=O)N(C1CC1)c1nc(C)cs1 Show InChI InChI=1S/C21H22N4OS2/c1-3-18(20(26)25(16-9-10-16)21-22-14(2)13-27-21)28-19-12-11-17(23-24-19)15-7-5-4-6-8-15/h4-8,11-13,16,18H,3,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	756	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM50387289 (CHEMBL2048854) Show SMILES CCC(Sc1ccc(nn1)-c1ccccc1)C(=O)N(C1CC1)c1nc(C)cs1 Show InChI InChI=1S/C21H22N4OS2/c1-3-18(20(26)25(16-9-10-16)21-22-14(2)13-27-21)28-19-12-11-17(23-24-19)15-7-5-4-6-8-15/h4-8,11-13,16,18H,3,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	756	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM50387292 (CHEMBL2048857) Show SMILES Cc1csc(n1)N(C1CCCC1)C(=O)CSc1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C21H22N4OS2/c1-15-13-28-21(22-15)25(17-9-5-6-10-17)20(26)14-27-19-12-11-18(23-24-19)16-7-3-2-4-8-16/h2-4,7-8,11-13,17H,5-6,9-10,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM43893 (3-benzyl-6-[2-(4-chlorophenyl)-2-keto-ethyl]triazo...) Show SMILES Clc1ccc(cc1)C(=O)Cn1cnc2n(Cc3ccccc3)nnc2c1=O Show InChI InChI=1S/C19H14ClN5O2/c20-15-8-6-14(7-9-15)16(26)11-24-12-21-18-17(19(24)27)22-23-25(18)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM50387287 (CHEMBL2048848) Show SMILES CN(C(=O)CSc1ccc(cn1)-c1ccccc1)c1nc(C)cs1 Show InChI InChI=1S/C18H17N3OS2/c1-13-11-24-18(20-13)21(2)17(22)12-23-16-9-8-15(10-19-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM50387286 (CHEMBL2048847) Show SMILES Cc1csc(NC(=O)CSc2ccc(cn2)-c2ccccc2)n1 Show InChI InChI=1S/C17H15N3OS2/c1-12-10-23-17(19-12)20-15(21)11-22-16-8-7-14(9-18-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50387290 (CHEMBL2048855) Show SMILES Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50387285 (CHEMBL2048846) Show SMILES CN(C(=O)CSc1ccc(nn1)-c1ccccc1)c1nc(C)cs1 Show InChI InChI=1S/C17H16N4OS2/c1-12-10-24-17(18-12)21(2)16(22)11-23-15-9-8-14(19-20-15)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50387290 (CHEMBL2048855) Show SMILES Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50387290 (CHEMBL2048855) Show SMILES Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50387285 (CHEMBL2048846) Show SMILES CN(C(=O)CSc1ccc(nn1)-c1ccccc1)c1nc(C)cs1 Show InChI InChI=1S/C17H16N4OS2/c1-12-10-24-17(18-12)21(2)16(22)11-23-15-9-8-14(19-20-15)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50387290 (CHEMBL2048855) Show SMILES Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50387285 (CHEMBL2048846) Show SMILES CN(C(=O)CSc1ccc(nn1)-c1ccccc1)c1nc(C)cs1 Show InChI InChI=1S/C17H16N4OS2/c1-12-10-24-17(18-12)21(2)16(22)11-23-15-9-8-14(19-20-15)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50387285 (CHEMBL2048846) Show SMILES CN(C(=O)CSc1ccc(nn1)-c1ccccc1)c1nc(C)cs1 Show InChI InChI=1S/C17H16N4OS2/c1-12-10-24-17(18-12)21(2)16(22)11-23-15-9-8-14(19-20-15)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 2 (Homo sapiens (Human))	BDBM50387285 (CHEMBL2048846) Show SMILES CN(C(=O)CSc1ccc(nn1)-c1ccccc1)c1nc(C)cs1 Show InChI InChI=1S/C17H16N4OS2/c1-12-10-24-17(18-12)21(2)16(22)11-23-15-9-8-14(19-20-15)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at NKKC1 expressed in human HEK293 cells assessed as [86Rb] uptake after 30 mins by scintillation counting				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Solute carrier family 12 member 2 (Homo sapiens (Human))	BDBM43891 (N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin...) Show SMILES Cc1csc(NC(=O)CSc2ccc(nn2)-c2ccccc2)n1 Show InChI InChI=1S/C16H14N4OS2/c1-11-9-23-16(17-11)18-14(21)10-22-15-8-7-13(19-20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at NKKC1 expressed in human HEK293 cells assessed as [86Rb] uptake after 30 mins by scintillation counting				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair