BDBM50381256 CHEMBL2018673

SMILES: COc1ccc(Cc2nn(Cc3n[nH]c(=S)n3C)c(=O)c3c(C)noc23)cc1

InChI Key: InChIKey=IFYXHUCCIJQGBH-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 = 50381256   

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 (Homo sapiens (Human))	BDBM50381256 (CHEMBL2018673) Show SMILES COc1ccc(Cc2nn(Cc3n[nH]c(=S)n3C)c(=O)c3c(C)noc23)cc1 Show InChI InChI=1S/C18H18N6O3S/c1-10-15-16(27-22-10)13(8-11-4-6-12(26-3)7-5-11)21-24(17(15)25)9-14-19-20-18(28)23(14)2/h4-7H,8-9H2,1-3H3,(H,20,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50381256 (CHEMBL2018673) Show SMILES COc1ccc(Cc2nn(Cc3n[nH]c(=S)n3C)c(=O)c3c(C)noc23)cc1 Show InChI InChI=1S/C18H18N6O3S/c1-10-15-16(27-22-10)13(8-11-4-6-12(26-3)7-5-11)21-24(17(15)25)9-14-19-20-18(28)23(14)2/h4-7H,8-9H2,1-3H3,(H,20,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
					More data for this Ligand-Target Pair