BDBM50397230 CHEMBL2172772

SMILES: Cc1c(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c2cc(ccc2n1Cc1ccc(Cl)cc1)C#Cc1ccccc1

InChI Key: InChIKey=DZUUIGHDMGAGIW-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 = 50397230   

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))	BDBM50397230 (CHEMBL2172772) Show SMILES Cc1c(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c2cc(ccc2n1Cc1ccc(Cl)cc1)C#Cc1ccccc1 Show InChI InChI=1S/C33H27ClN2O3S/c1-23-8-17-29(18-9-23)40(38,39)35-33(37)21-30-24(2)36(22-27-12-15-28(34)16-13-27)32-19-14-26(20-31(30)32)11-10-25-6-4-3-5-7-25/h3-9,12-20H,21-22H2,1-2H3,(H,35,37)	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	2.80E+3	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))	BDBM50397230 (CHEMBL2172772) Show SMILES Cc1c(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c2cc(ccc2n1Cc1ccc(Cl)cc1)C#Cc1ccccc1 Show InChI InChI=1S/C33H27ClN2O3S/c1-23-8-17-29(18-9-23)40(38,39)35-33(37)21-30-24(2)36(22-27-12-15-28(34)16-13-27)32-19-14-26(20-31(30)32)11-10-25-6-4-3-5-7-25/h3-9,12-20H,21-22H2,1-2H3,(H,35,37)	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	1.50E+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