BDBM50381251 CHEMBL2018668

SMILES: CCn1c(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)n[nH]c1=S

InChI Key: InChIKey=XXBLGSVNTHIXLC-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 = 50381251   

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))	BDBM50381251 (CHEMBL2018668) Show SMILES CCn1c(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)n[nH]c1=S Show InChI InChI=1S/C18H18N6O2S/c1-3-23-14(19-20-18(23)27)10-24-17(25)15-11(2)22-26-16(15)13(21-24)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,20,27)	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	6.10E+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))	BDBM50381251 (CHEMBL2018668) Show SMILES CCn1c(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)n[nH]c1=S Show InChI InChI=1S/C18H18N6O2S/c1-3-23-14(19-20-18(23)27)10-24-17(25)15-11(2)22-26-16(15)13(21-24)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,20,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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