BDBM50262487 3-(6-chloro-2-fluoro-3-((5-methyl-6-oxo-1,6-dihydropyridazin-3-yl)methyl)phenoxy)-5-fluorobenzonitrile::CHEMBL477145

SMILES: Cc1cc(Cc2ccc(Cl)c(Oc3cc(F)cc(c3)C#N)c2F)n[nH]c1=O

InChI Key: InChIKey=IUUQWNJIQOXGIC-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50262487   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50262487 (3-(6-chloro-2-fluoro-3-((5-methyl-6-oxo-1,6-dihydr...) Show SMILES Cc1cc(Cc2ccc(Cl)c(Oc3cc(F)cc(c3)C#N)c2F)n[nH]c1=O Show InChI InChI=1S/C19H12ClF2N3O2/c1-10-4-14(24-25-19(10)26)7-12-2-3-16(20)18(17(12)22)27-15-6-11(9-23)5-13(21)8-15/h2-6,8H,7H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 4352-4 (2008) Article DOI: 10.1016/j.bmcl.2008.06.072 BindingDB Entry DOI: 10.7270/Q2XK8FC6
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50262487 (3-(6-chloro-2-fluoro-3-((5-methyl-6-oxo-1,6-dihydr...) Show SMILES Cc1cc(Cc2ccc(Cl)c(Oc3cc(F)cc(c3)C#N)c2F)n[nH]c1=O Show InChI InChI=1S/C19H12ClF2N3O2/c1-10-4-14(24-25-19(10)26)7-12-2-3-16(20)18(17(12)22)27-15-6-11(9-23)5-13(21)8-15/h2-6,8H,7H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	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
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 18: 4352-4 (2008) Article DOI: 10.1016/j.bmcl.2008.06.072 BindingDB Entry DOI: 10.7270/Q2XK8FC6
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50262487 (3-(6-chloro-2-fluoro-3-((5-methyl-6-oxo-1,6-dihydr...) Show SMILES Cc1cc(Cc2ccc(Cl)c(Oc3cc(F)cc(c3)C#N)c2F)n[nH]c1=O Show InChI InChI=1S/C19H12ClF2N3O2/c1-10-4-14(24-25-19(10)26)7-12-2-3-16(20)18(17(12)22)27-15-6-11(9-23)5-13(21)8-15/h2-6,8H,7H2,1H3,(H,25,26)	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	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 18: 4352-4 (2008) Article DOI: 10.1016/j.bmcl.2008.06.072 BindingDB Entry DOI: 10.7270/Q2XK8FC6
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50262487 (3-(6-chloro-2-fluoro-3-((5-methyl-6-oxo-1,6-dihydr...) Show SMILES Cc1cc(Cc2ccc(Cl)c(Oc3cc(F)cc(c3)C#N)c2F)n[nH]c1=O Show InChI InChI=1S/C19H12ClF2N3O2/c1-10-4-14(24-25-19(10)26)7-12-2-3-16(20)18(17(12)22)27-15-6-11(9-23)5-13(21)8-15/h2-6,8H,7H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 18: 4352-4 (2008) Article DOI: 10.1016/j.bmcl.2008.06.072 BindingDB Entry DOI: 10.7270/Q2XK8FC6
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50262487 (3-(6-chloro-2-fluoro-3-((5-methyl-6-oxo-1,6-dihydr...) Show SMILES Cc1cc(Cc2ccc(Cl)c(Oc3cc(F)cc(c3)C#N)c2F)n[nH]c1=O Show InChI InChI=1S/C19H12ClF2N3O2/c1-10-4-14(24-25-19(10)26)7-12-2-3-16(20)18(17(12)22)27-15-6-11(9-23)5-13(21)8-15/h2-6,8H,7H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	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
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 18: 4352-4 (2008) Article DOI: 10.1016/j.bmcl.2008.06.072 BindingDB Entry DOI: 10.7270/Q2XK8FC6
					More data for this Ligand-Target Pair