BDBM50035942 CHEMBL3338720

SMILES: Clc1ccc(cc1)-c1nn(cc1\C=N/NC(=S)Nc1ccccc1)-c1ccccc1

InChI Key: InChIKey=SOTHXVMXJQFBQJ-MYYYXRDXSA-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 = 50035942   

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 G/H synthase 1 (Ovis aries (Sheep))	BDBM50035942 (CHEMBL3338720) Show SMILES Clc1ccc(cc1)-c1nn(cc1\C=N/NC(=S)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H18ClN5S/c24-19-13-11-17(12-14-19)22-18(16-29(28-22)21-9-5-2-6-10-21)15-25-27-23(30)26-20-7-3-1-4-8-20/h1-16H,(H2,26,27,30)/b25-15-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
KLE University Curated by ChEMBL					Assay Description Inhibition of ovine COX1				Bioorg Med Chem Lett 24: 5324-9 (2015) Article DOI: 10.1016/j.bmcl.2014.08.062 BindingDB Entry DOI: 10.7270/Q2X92CXH
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50035942 (CHEMBL3338720) Show SMILES Clc1ccc(cc1)-c1nn(cc1\C=N/NC(=S)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H18ClN5S/c24-19-13-11-17(12-14-19)22-18(16-29(28-22)21-9-5-2-6-10-21)15-25-27-23(30)26-20-7-3-1-4-8-20/h1-16H,(H2,26,27,30)/b25-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
KLE University Curated by ChEMBL					Assay Description Inhibition of ovine COX2				Bioorg Med Chem Lett 24: 5324-9 (2015) Article DOI: 10.1016/j.bmcl.2014.08.062 BindingDB Entry DOI: 10.7270/Q2X92CXH
					More data for this Ligand-Target Pair