BDBM50087224 (S)-2-[(E)-3-(2-Bromo-phenyl)-acryloyl]-7-(3-chloro-propoxy)-6,8-diiodo-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid::CHEMBL160335

SMILES: OC(=O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)\C=C\c1ccccc1Br

InChI Key: InChIKey=GAVBBOSQUKRQRN-DKFQHHCZSA-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 = 50087224   

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))	BDBM50087224 ((S)-2-[(E)-3-(2-Bromo-phenyl)-acryloyl]-7-(3-chlor...) Show SMILES OC(=O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)\C=C\c1ccccc1Br Show InChI InChI=1S/C22H19BrClI2NO4/c23-16-5-2-1-4-13(16)6-7-19(28)27-12-15-14(11-18(27)22(29)30)10-17(25)21(20(15)26)31-9-3-8-24/h1-2,4-7,10,18H,3,8-9,11-12H2,(H,29,30)/b7-6+/t18-/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	3.30E+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