BDBM50375324 CHEMBL411087

SMILES: CC1=CC(OC(=O)N1c1ccc(C)cc1)=c1c(=C)[nH]n(-c2ccccc2)c1=O

InChI Key: InChIKey=HIWZCLFUHRGLDL-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50375324   

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
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50375324 (CHEMBL411087) Show SMILES CC1=CC(OC(=O)N1c1ccc(C)cc1)=c1c(=C)[nH]n(-c2ccccc2)c1=O |w:3.2,t:1| Show InChI InChI=1S/C22H19N3O3/c1-14-9-11-17(12-10-14)24-15(2)13-19(28-22(24)27)20-16(3)23-25(21(20)26)18-7-5-4-6-8-18/h4-13,23H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Sciences and Technology Houari Boum£di£ne Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 16: 3059-66 (2008) Article DOI: 10.1016/j.bmc.2007.12.033 BindingDB Entry DOI: 10.7270/Q251402X
					More data for this Ligand-Target Pair