null

SMILES: Cc1nnn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21

InChI Key: InChIKey=FFCUBEJNESQWBX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50326142   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326142 (3-methyl-6-(2-(4-(2-methylquinolin-5-yl)piperazin-...) Show SMILES Cc1nnn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C26H28N6O/c1-18-9-10-21-22(27-18)6-4-7-23(21)31-15-13-30(14-16-31)12-11-20-5-3-8-24-26(20)33-17-25-19(2)28-29-32(24)25/h3-10H,11-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50326142 (3-methyl-6-(2-(4-(2-methylquinolin-5-yl)piperazin-...) Show SMILES Cc1nnn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C26H28N6O/c1-18-9-10-21-22(27-18)6-4-7-23(21)31-15-13-30(14-16-31)12-11-20-5-3-8-24-26(20)33-17-25-19(2)28-29-32(24)25/h3-10H,11-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19 preincubated for 10 mins				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50326142 (3-methyl-6-(2-(4-(2-methylquinolin-5-yl)piperazin-...) Show SMILES Cc1nnn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C26H28N6O/c1-18-9-10-21-22(27-18)6-4-7-23(21)31-15-13-30(14-16-31)12-11-20-5-3-8-24-26(20)33-17-25-19(2)28-29-32(24)25/h3-10H,11-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using diethoxyflourescein as substrate				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50326142 (3-methyl-6-(2-(4-(2-methylquinolin-5-yl)piperazin-...) Show SMILES Cc1nnn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C26H28N6O/c1-18-9-10-21-22(27-18)6-4-7-23(21)31-15-13-30(14-16-31)12-11-20-5-3-8-24-26(20)33-17-25-19(2)28-29-32(24)25/h3-10H,11-17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYPD6 preincubated for 10 mins				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50326142 (3-methyl-6-(2-(4-(2-methylquinolin-5-yl)piperazin-...) Show SMILES Cc1nnn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C26H28N6O/c1-18-9-10-21-22(27-18)6-4-7-23(21)31-15-13-30(14-16-31)12-11-20-5-3-8-24-26(20)33-17-25-19(2)28-29-32(24)25/h3-10H,11-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using diethoxyflourescein/7-benzyloxyquinoline as substrate				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50326142 (3-methyl-6-(2-(4-(2-methylquinolin-5-yl)piperazin-...) Show SMILES Cc1nnn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C26H28N6O/c1-18-9-10-21-22(27-18)6-4-7-23(21)31-15-13-30(14-16-31)12-11-20-5-3-8-24-26(20)33-17-25-19(2)28-29-32(24)25/h3-10H,11-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 preincubated for 10 mins				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50326142 (3-methyl-6-(2-(4-(2-methylquinolin-5-yl)piperazin-...) Show SMILES Cc1nnn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C26H28N6O/c1-18-9-10-21-22(27-18)6-4-7-23(21)31-15-13-30(14-16-31)12-11-20-5-3-8-24-26(20)33-17-25-19(2)28-29-32(24)25/h3-10H,11-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair