BDBM50332752 (2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid::(R)-6,8-dichloro-7-isobutoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid::CHEMBL1232083

SMILES: CC(C)COc1c(Cl)cc2C=C([C@@H](Oc2c1Cl)C(F)(F)F)C(O)=O

InChI Key: InChIKey=FQKMILFVTQADHR-CYBMUJFWSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50332752   

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))	BDBM50332752 ((2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoro...) Show SMILES CC(C)COc1c(Cl)cc2C=C([C@@H](Oc2c1Cl)C(F)(F)F)C(O)=O |r,c:10| Show InChI InChI=1S/C15H13Cl2F3O4/c1-6(2)5-23-12-9(16)4-7-3-8(14(21)22)13(15(18,19)20)24-11(7)10(12)17/h3-4,6,13H,5H2,1-2H3,(H,21,22)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	<28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem Lett 20: 7159-63 (2010) Article DOI: 10.1016/j.bmcl.2010.07.054 BindingDB Entry DOI: 10.7270/Q23X86W1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50332752 ((2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoro...) Show SMILES CC(C)COc1c(Cl)cc2C=C([C@@H](Oc2c1Cl)C(F)(F)F)C(O)=O |r,c:10| Show InChI InChI=1S/C15H13Cl2F3O4/c1-6(2)5-23-12-9(16)4-7-3-8(14(21)22)13(15(18,19)20)24-11(7)10(12)17/h3-4,6,13H,5H2,1-2H3,(H,21,22)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human COX1				Bioorg Med Chem Lett 20: 7159-63 (2010) Article DOI: 10.1016/j.bmcl.2010.07.054 BindingDB Entry DOI: 10.7270/Q23X86W1
					More data for this Ligand-Target Pair