BDBM50261635 CHEMBL4091890

SMILES: O=C(Nc1ccccc1)c1c(N=Cc2ccco2)c(C#N)c2CCCn12

InChI Key: InChIKey=URSYQRZVYWARTG-LPYMAVHISA-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 = 50261635   

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) (Ovis aries (Sheep))	BDBM50261635 (CHEMBL4091890) Show SMILES O=C(Nc1ccccc1)c1c(N=Cc2ccco2)c(C#N)c2CCCn12 Show InChI InChI=1S/C20H16N4O2/c21-12-16-17-9-4-10-24(17)19(18(16)22-13-15-8-5-11-26-15)20(25)23-14-6-2-1-3-7-14/h1-3,5-8,11,13H,4,9-10H2,(H,23,25)/b22-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50261635 (CHEMBL4091890) Show SMILES O=C(Nc1ccccc1)c1c(N=Cc2ccco2)c(C#N)c2CCCn12 Show InChI InChI=1S/C20H16N4O2/c21-12-16-17-9-4-10-24(17)19(18(16)22-13-15-8-5-11-26-15)20(25)23-14-6-2-1-3-7-14/h1-3,5-8,11,13H,4,9-10H2,(H,23,25)/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair