BDBM50172795 CHEMBL3808627

SMILES: COC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(C)C

InChI Key: InChIKey=FQGKJLJYDGWNPW-BBRMVZONSA-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 = 50172795   

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))	BDBM50172795 (CHEMBL3808627) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C19H27N3O6/c1-12(2)16(18(25)27-4)22-17(24)13(3)21-15(23)10-20-19(26)28-11-14-8-6-5-7-9-14/h5-9,12-13,16H,10-11H2,1-4H3,(H,20,26)(H,21,23)(H,22,24)/t13-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2-derived PGF2alpha using arachidonic acid as substrate preincubated for 10 mins followed by sub...				J Med Chem 59: 3920-34 (2016) BindingDB Entry DOI: 10.7270/Q26D5VWH
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50172795 (CHEMBL3808627) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C19H27N3O6/c1-12(2)16(18(25)27-4)22-17(24)13(3)21-15(23)10-20-19(26)28-11-14-8-6-5-7-9-14/h5-9,12-13,16H,10-11H2,1-4H3,(H,20,26)(H,21,23)(H,22,24)/t13-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2-derived PGF2alpha using arachidonic acid as substrate preincubated for 10 mins fol...				J Med Chem 59: 3920-34 (2016) BindingDB Entry DOI: 10.7270/Q26D5VWH
					More data for this Ligand-Target Pair