BDBM50087197 (S)-2-[(E)-3-(2-Fluoro-phenyl)-acryloyl]-6,8-diiodo-7-(3-trifluoromethyl-benzyloxy)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid::CHEMBL158775

SMILES: OC(=O)[C@@H]1Cc2cc(I)c(OCc3cccc(c3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1ccccc1F

InChI Key: InChIKey=OOPXCAFBIRGEQD-UVIRAJKCSA-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 = 50087197   

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
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50087197 ((S)-2-[(E)-3-(2-Fluoro-phenyl)-acryloyl]-6,8-diiod...) Show SMILES OC(=O)[C@@H]1Cc2cc(I)c(OCc3cccc(c3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1ccccc1F Show InChI InChI=1S/C27H19F4I2NO4/c28-20-7-2-1-5-16(20)8-9-23(35)34-13-19-17(12-22(34)26(36)37)11-21(32)25(24(19)33)38-14-15-4-3-6-18(10-15)27(29,30)31/h1-11,22H,12-14H2,(H,36,37)/b9-8+/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Company Curated by ChEMBL					Assay Description Compound was measured for its inhibitory activity against Cell division cycle 25B				Bioorg Med Chem Lett 10: 649-52 (2000) BindingDB Entry DOI: 10.7270/Q2KS6QRN
					More data for this Ligand-Target Pair