BDBM50035937 CHEMBL3338734

SMILES: COc1ccc(cc1)-c1nn(cc1C1SC(=NN1C(C)=O)N(C(C)=O)c1ccccc1)-c1ccccc1

InChI Key: InChIKey=TVAYTPOBVFPTPZ-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 = 50035937   

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 2 (Ovis aries (Sheep))	BDBM50035937 (CHEMBL3338734) Show SMILES COc1ccc(cc1)-c1nn(cc1C1SC(=NN1C(C)=O)N(C(C)=O)c1ccccc1)-c1ccccc1 |c:17| Show InChI InChI=1S/C28H25N5O3S/c1-19(34)32(23-12-8-5-9-13-23)28-30-33(20(2)35)27(37-28)25-18-31(22-10-6-4-7-11-22)29-26(25)21-14-16-24(36-3)17-15-21/h4-18,27H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.33E+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 1 (Ovis aries (Sheep))	BDBM50035937 (CHEMBL3338734) Show SMILES COc1ccc(cc1)-c1nn(cc1C1SC(=NN1C(C)=O)N(C(C)=O)c1ccccc1)-c1ccccc1 |c:17| Show InChI InChI=1S/C28H25N5O3S/c1-19(34)32(23-12-8-5-9-13-23)28-30-33(20(2)35)27(37-28)25-18-31(22-10-6-4-7-11-22)29-26(25)21-14-16-24(36-3)17-15-21/h4-18,27H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.47E+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