BDBM50397227 CHEMBL2172776

SMILES: OC(=O)Cc1cn(nc1-c1ccc(cc1)C#Cc1cccc(Cl)c1)-c1ccccc1

InChI Key: InChIKey=FTUKXVZQJYUFOE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50397227   

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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50397227 (CHEMBL2172776) Show SMILES OC(=O)Cc1cn(nc1-c1ccc(cc1)C#Cc1cccc(Cl)c1)-c1ccccc1 Show InChI InChI=1S/C25H17ClN2O2/c26-22-6-4-5-19(15-22)10-9-18-11-13-20(14-12-18)25-21(16-24(29)30)17-28(27-25)23-7-2-1-3-8-23/h1-8,11-15,17H,16H2,(H,29,30)	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	180	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC a...				J Med Chem 55: 8958-62 (2012) Article DOI: 10.1021/jm3010543 BindingDB Entry DOI: 10.7270/Q20Z74FD
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50397227 (CHEMBL2172776) Show SMILES OC(=O)Cc1cn(nc1-c1ccc(cc1)C#Cc1cccc(Cl)c1)-c1ccccc1 Show InChI InChI=1S/C25H17ClN2O2/c26-22-6-4-5-19(15-22)10-9-18-11-13-20(14-12-18)25-21(16-24(29)30)17-28(27-25)23-7-2-1-3-8-23/h1-8,11-15,17H,16H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human neutrophils assessed as inhibition of enzyme product formation by RP-HPLC analysis				J Med Chem 55: 8958-62 (2012) Article DOI: 10.1021/jm3010543 BindingDB Entry DOI: 10.7270/Q20Z74FD
					More data for this Ligand-Target Pair