BDBM50434689 CHEMBL2387595

SMILES: CCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl

InChI Key: InChIKey=ITJZUXOTSQYHCL-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 = 50434689   

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))	BDBM50434689 (CHEMBL2387595) Show SMILES CCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C19H16ClN3O/c1-2-5-11-8-9-13-15(10-11)21-19(24)17-16(13)22-18(23-17)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,21,24)(H,22,23)	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))	BDBM50434689 (CHEMBL2387595) Show SMILES CCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C19H16ClN3O/c1-2-5-11-8-9-13-15(10-11)21-19(24)17-16(13)22-18(23-17)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,21,24)(H,22,23)	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	47	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))	BDBM50434689 (CHEMBL2387595) Show SMILES CCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C19H16ClN3O/c1-2-5-11-8-9-13-15(10-11)21-19(24)17-16(13)22-18(23-17)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,21,24)(H,22,23)	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
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))	BDBM50434689 (CHEMBL2387595) Show SMILES CCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C19H16ClN3O/c1-2-5-11-8-9-13-15(10-11)21-19(24)17-16(13)22-18(23-17)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,21,24)(H,22,23)	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	>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 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