BDBM50523304 CHEMBL4542774

SMILES: Brc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=S)NC3=O)cc2)nn1

InChI Key: InChIKey=AQWUYXBCEWJPSQ-MFOYZWKCSA-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 = 50523304   

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/G/H synthase 2 (Homo sapiens (Human))	BDBM50523304 (CHEMBL4542774) Show SMILES Brc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=S)NC3=O)cc2)nn1 Show InChI InChI=1S/C19H13BrN4O2S2/c20-13-3-5-15(6-4-13)24-10-14(22-23-24)11-26-16-7-1-12(2-8-16)9-17-18(25)21-19(27)28-17/h1-10H,11H2,(H,21,25,27)/b17-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition ...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50523304 (CHEMBL4542774) Show SMILES Brc1ccc(cc1)-n1cc(COc2ccc(\C=C3/SC(=S)NC3=O)cc2)nn1 Show InChI InChI=1S/C19H13BrN4O2S2/c20-13-3-5-15(6-4-13)24-10-14(22-23-24)11-26-16-7-1-12(2-8-16)9-17-18(25)21-19(27)28-17/h1-10H,11H2,(H,21,25,27)/b17-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition and measured...				Eur J Med Chem 167: 562-582 (2019) Article DOI: 10.1016/j.ejmech.2019.02.034
					More data for this Ligand-Target Pair