BDBM50247277 4-(1-(4-(trifluoromethyl)phenyl)prop-1-en-2-yl)phenol::CHEMBL491079

SMILES: C\C(=C/c1ccc(cc1)C(F)(F)F)c1ccc(O)cc1

InChI Key: InChIKey=CBPIQQDZRVMUPW-ZHACJKMWSA-N

Data: 3 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 3 hits for monomerid = 50247277   

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))	BDBM50247277 (4-(1-(4-(trifluoromethyl)phenyl)prop-1-en-2-yl)phe...) Show SMILES C\C(=C/c1ccc(cc1)C(F)(F)F)c1ccc(O)cc1 Show InChI InChI=1S/C16H13F3O/c1-11(13-4-8-15(20)9-5-13)10-12-2-6-14(7-3-12)16(17,18)19/h2-10,20H,1H3/b11-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50247277 (4-(1-(4-(trifluoromethyl)phenyl)prop-1-en-2-yl)phe...) Show SMILES C\C(=C/c1ccc(cc1)C(F)(F)F)c1ccc(O)cc1 Show InChI InChI=1S/C16H13F3O/c1-11(13-4-8-15(20)9-5-13)10-12-2-6-14(7-3-12)16(17,18)19/h2-10,20H,1H3/b11-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50247277 (4-(1-(4-(trifluoromethyl)phenyl)prop-1-en-2-yl)phe...) Show SMILES C\C(=C/c1ccc(cc1)C(F)(F)F)c1ccc(O)cc1 Show InChI InChI=1S/C16H13F3O/c1-11(13-4-8-15(20)9-5-13)10-12-2-6-14(7-3-12)16(17,18)19/h2-10,20H,1H3/b11-10+	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	470	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair