BDBM50235319 CHEMBL4066899

SMILES: Cc1c(O)c2cc(Cl)ccc2nc1C(=O)N1CCNCC1

InChI Key: InChIKey=VLYQPKMLKKUECS-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 = 50235319   

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))	BDBM50235319 (CHEMBL4066899) Show SMILES Cc1c(O)c2cc(Cl)ccc2nc1C(=O)N1CCNCC1 Show InChI InChI=1S/C15H16ClN3O2/c1-9-13(15(21)19-6-4-17-5-7-19)18-12-3-2-10(16)8-11(12)14(9)20/h2-3,8,17H,4-7H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate assessed as decrease in PGF2 production preincubated for 15 mins followed by...				Eur J Med Chem 127: 972-985 (2017) Article DOI: 10.1016/j.ejmech.2016.11.006 BindingDB Entry DOI: 10.7270/Q2NC63G3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50235319 (CHEMBL4066899) Show SMILES Cc1c(O)c2cc(Cl)ccc2nc1C(=O)N1CCNCC1 Show InChI InChI=1S/C15H16ClN3O2/c1-9-13(15(21)19-6-4-17-5-7-19)18-12-3-2-10(16)8-11(12)14(9)20/h2-3,8,17H,4-7H2,1H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibitory activity was determined against almonds Beta-glucosidase				Eur J Med Chem 127: 972-985 (2017) Article DOI: 10.1016/j.ejmech.2016.11.006 BindingDB Entry DOI: 10.7270/Q2NC63G3
					More data for this Ligand-Target Pair