BDBM50434686 CHEMBL2387598

SMILES: CCCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl

InChI Key: InChIKey=RCYUPGBXIPSPFZ-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 = 50434686   

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))	BDBM50434686 (CHEMBL2387598) Show SMILES CCCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C22H22ClN3O/c1-2-3-4-5-8-14-11-12-16-18(13-14)24-22(27)20-19(16)25-21(26-20)15-9-6-7-10-17(15)23/h6-7,9-13H,2-5,8H2,1H3,(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))	BDBM50434686 (CHEMBL2387598) Show SMILES CCCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C22H22ClN3O/c1-2-3-4-5-8-14-11-12-16-18(13-14)24-22(27)20-19(16)25-21(26-20)15-9-6-7-10-17(15)23/h6-7,9-13H,2-5,8H2,1H3,(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	70	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))	BDBM50434686 (CHEMBL2387598) Show SMILES CCCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C22H22ClN3O/c1-2-3-4-5-8-14-11-12-16-18(13-14)24-22(27)20-19(16)25-21(26-20)15-9-6-7-10-17(15)23/h6-7,9-13H,2-5,8H2,1H3,(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	>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 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))	BDBM50434686 (CHEMBL2387598) Show SMILES CCCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C22H22ClN3O/c1-2-3-4-5-8-14-11-12-16-18(13-14)24-22(27)20-19(16)25-21(26-20)15-9-6-7-10-17(15)23/h6-7,9-13H,2-5,8H2,1H3,(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	>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