BDBM50273707 2-(4-Chloro-6-(2-phenoxyethylamino)pyrimidin-2-ylthio)octanoic acid::CHEMBL460396

SMILES: CCCCCCC(Sc1nc(Cl)cc(NCCOc2ccccc2)n1)C(O)=O

InChI Key: InChIKey=CVPIGGPQTFLRRW-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 = 50273707   

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 (Homo sapiens (Human))	BDBM50273707 (2-(4-Chloro-6-(2-phenoxyethylamino)pyrimidin-2-ylt...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCCOc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C20H26ClN3O3S/c1-2-3-4-8-11-16(19(25)26)28-20-23-17(21)14-18(24-20)22-12-13-27-15-9-6-5-7-10-15/h5-7,9-10,14,16H,2-4,8,11-13H2,1H3,(H,25,26)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50273707 (2-(4-Chloro-6-(2-phenoxyethylamino)pyrimidin-2-ylt...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCCOc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C20H26ClN3O3S/c1-2-3-4-8-11-16(19(25)26)28-20-23-17(21)14-18(24-20)22-12-13-27-15-9-6-5-7-10-15/h5-7,9-10,14,16H,2-4,8,11-13H2,1H3,(H,25,26)(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of ovine COX1				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair