BDBM50235317 CHEMBL4080473

SMILES: CN(C)c1ccc(CCNC(=O)c2nc3ccc(Cl)cc3c(O)c2C)cc1

InChI Key: InChIKey=PJSHTJKWYYEHNZ-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 = 50235317   

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))	BDBM50235317 (CHEMBL4080473) Show SMILES CN(C)c1ccc(CCNC(=O)c2nc3ccc(Cl)cc3c(O)c2C)cc1 Show InChI InChI=1S/C21H22ClN3O2/c1-13-19(24-18-9-6-15(22)12-17(18)20(13)26)21(27)23-11-10-14-4-7-16(8-5-14)25(2)3/h4-9,12H,10-11H2,1-3H3,(H,23,27)(H,24,26)	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	1.67E+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))	BDBM50235317 (CHEMBL4080473) Show SMILES CN(C)c1ccc(CCNC(=O)c2nc3ccc(Cl)cc3c(O)c2C)cc1 Show InChI InChI=1S/C21H22ClN3O2/c1-13-19(24-18-9-6-15(22)12-17(18)20(13)26)21(27)23-11-10-14-4-7-16(8-5-14)25(2)3/h4-9,12H,10-11H2,1-3H3,(H,23,27)(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate assessed as decrease in PGF2 production preincubated for 15 mins followed by substrate a...				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