BindingDB logo
myBDB logout

BDBM50393460 CHEMBL2159937

SMILES: CC(C)n1nnnc1C(N1CCCC2(CCCCC2)C1)c1cc2cc(C)ccc2[nH]c1=O

InChI Key: InChIKey=ISFJSAHABZWIEI-UHFFFAOYNA-N

Data: 2 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 2 hits for monomerid = 50393460   
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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50393460
PNG
(CHEMBL2159937)
Show SMILES CC(C)n1nnnc1C(N1CCCC2(CCCCC2)C1)c1cc2cc(C)ccc2[nH]c1=O
Show InChI InChI=1/C25H34N6O/c1-17(2)31-23(27-28-29-31)22(30-13-7-12-25(16-30)10-5-4-6-11-25)20-15-19-14-18(3)8-9-21(19)26-24(20)32/h8-9,14-15,17,22H,4-7,10-13,16H2,1-3H3,(H,26,32)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>7.50E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HePTP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM50393460
PNG
(CHEMBL2159937)
Show SMILES CC(C)n1nnnc1C(N1CCCC2(CCCCC2)C1)c1cc2cc(C)ccc2[nH]c1=O
Show InChI InChI=1/C25H34N6O/c1-17(2)31-23(27-28-29-31)22(30-13-7-12-25(16-30)10-5-4-6-11-25)20-15-19-14-18(3)8-9-21(19)26-24(20)32/h8-9,14-15,17,22H,4-7,10-13,16H2,1-3H3,(H,26,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.12E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair