BindingDB logo
myBDB logout

BDBM50393496 CHEMBL2159935

SMILES: Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCO1

InChI Key: InChIKey=HZMDOJYDKAZVJW-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50393496   
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 22


(Homo sapiens (Human))
BDBM50393496
PNG
(CHEMBL2159935)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCO1
Show InChI InChI=1S/C26H34N6O2/c1-18-8-9-21-19(15-18)16-20(25(33)27-21)23(24-28-29-30-32(24)22-7-5-14-34-22)31-13-6-12-26(17-31)10-3-2-4-11-26/h8-9,15-16,22-23H,2-7,10-14,17H2,1H3,(H,27,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.07E+3n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG 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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393496
PNG
(CHEMBL2159935)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCO1
Show InChI InChI=1S/C26H34N6O2/c1-18-8-9-21-19(15-18)16-20(25(33)27-21)23(24-28-29-30-32(24)22-7-5-14-34-22)31-13-6-12-26(17-31)10-3-2-4-11-26/h8-9,15-16,22-23H,2-7,10-14,17H2,1H3,(H,27,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.76E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG 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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393496
PNG
(CHEMBL2159935)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCO1
Show InChI InChI=1S/C26H34N6O2/c1-18-8-9-21-19(15-18)16-20(25(33)27-21)23(24-28-29-30-32(24)22-7-5-14-34-22)31-13-6-12-26(17-31)10-3-2-4-11-26/h8-9,15-16,22-23H,2-7,10-14,17H2,1H3,(H,27,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.58E+3n/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