BDBM50434679 CHEMBL2387605

SMILES: Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccnc1

InChI Key: InChIKey=WCVGPCAQEVCGQB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50434679   

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 2D6 (Homo sapiens (Human))	BDBM50434679 (CHEMBL2387605) Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccnc1 Show InChI InChI=1S/C21H13ClN4O/c22-16-6-2-1-5-14(16)20-25-18-15-8-7-12(13-4-3-9-23-11-13)10-17(15)24-21(27)19(18)26-20/h1-11H,(H,24,27)(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	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
Dainippon Sumitomo Pharma. Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis				Bioorg Med Chem 21: 2868-78 (2013) Article DOI: 10.1016/j.bmc.2013.03.069 BindingDB Entry DOI: 10.7270/Q2JM2C1J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50434679 (CHEMBL2387605) Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccnc1 Show InChI InChI=1S/C21H13ClN4O/c22-16-6-2-1-5-14(16)20-25-18-15-8-7-12(13-4-3-9-23-11-13)10-17(15)24-21(27)19(18)26-20/h1-11H,(H,24,27)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	908	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma. Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...				Bioorg Med Chem 21: 2868-78 (2013) Article DOI: 10.1016/j.bmc.2013.03.069 BindingDB Entry DOI: 10.7270/Q2JM2C1J
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50434679 (CHEMBL2387605) Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccnc1 Show InChI InChI=1S/C21H13ClN4O/c22-16-6-2-1-5-14(16)20-25-18-15-8-7-12(13-4-3-9-23-11-13)10-17(15)24-21(27)19(18)26-20/h1-11H,(H,24,27)(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	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma. Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis				Bioorg Med Chem 21: 2868-78 (2013) Article DOI: 10.1016/j.bmc.2013.03.069 BindingDB Entry DOI: 10.7270/Q2JM2C1J
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50434679 (CHEMBL2387605) Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccnc1 Show InChI InChI=1S/C21H13ClN4O/c22-16-6-2-1-5-14(16)20-25-18-15-8-7-12(13-4-3-9-23-11-13)10-17(15)24-21(27)19(18)26-20/h1-11H,(H,24,27)(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	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma. Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis				Bioorg Med Chem 21: 2868-78 (2013) Article DOI: 10.1016/j.bmc.2013.03.069 BindingDB Entry DOI: 10.7270/Q2JM2C1J
					More data for this Ligand-Target Pair