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BDBM50250609 CHEMBL4105477

SMILES: OP(O)(=O)C(C(=O)N1CCCCC1)c1ccc(cc1)-c1cccc(Cc2cc(Cl)c(Cl)cc2Cl)c1F

InChI Key: InChIKey=KHLREWPFGNWNJD-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50250609   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))		BDBM50250609
PNG
(CHEMBL4105477)
Show SMILES OP(O)(=O)C(C(=O)N1CCCCC1)c1ccc(cc1)-c1cccc(Cc2cc(Cl)c(Cl)cc2Cl)c1F
Show InChI InChI=1S/C26H24Cl3FNO4P/c27-21-15-23(29)22(28)14-19(21)13-18-5-4-6-20(24(18)30)16-7-9-17(10-8-16)25(36(33,34)35)26(32)31-11-2-1-3-12-31/h4-10,14-15,25H,1-3,11-13H2,(H2,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.70E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity to 6His-tagged STEP phosphatase domain (258 to 539 residues) (unknown origin) expressed in Escherichia coli BL21 Gold (DE3) after 90...

J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
BindingDB Entry DOI: 10.7270/Q2NZ8B27
More data for this
Ligand-Target Pair