BDBM50035938 CHEMBL3338722

SMILES: COc1ccc(cc1)-c1nn(cc1\C=N/NC(=S)Nc1ccccc1)-c1ccccc1

InChI Key: InChIKey=ZMRFZLPILDJSEV-XYGWBWBKSA-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 = 50035938   

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 (Cyclooxygenase-2) (Ovis aries (Sheep))	BDBM50035938 (CHEMBL3338722) Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/NC(=S)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H21N5OS/c1-30-22-14-12-18(13-15-22)23-19(17-29(28-23)21-10-6-3-7-11-21)16-25-27-24(31)26-20-8-4-2-5-9-20/h2-17H,1H3,(H2,26,27,31)/b25-16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.33E+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
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50035938 (CHEMBL3338722) Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/NC(=S)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H21N5OS/c1-30-22-14-12-18(13-15-22)23-19(17-29(28-23)21-10-6-3-7-11-21)16-25-27-24(31)26-20-8-4-2-5-9-20/h2-17H,1H3,(H2,26,27,31)/b25-16-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.23E+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