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SMILES: Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1nnnn1C1CCCC1

InChI Key: InChIKey=OJUQEVJHABXDKE-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50393462   
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))
BDBM50393462
PNG
(CHEMBL2159939)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C34H37N7O/c1-24-16-17-30-27(22-24)23-29(34(42)35-30)32(33-36-37-38-41(33)28-14-8-9-15-28)40-20-18-39(19-21-40)31(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-13,16-17,22-23,28,31-32H,8-9,14-15,18-21H2,1H3,(H,35,42)
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PC cid
PC sid
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Article
PubMed
1.10E+4n/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))
BDBM50393462
PNG
(CHEMBL2159939)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C34H37N7O/c1-24-16-17-30-27(22-24)23-29(34(42)35-30)32(33-36-37-38-41(33)28-14-8-9-15-28)40-20-18-39(19-21-40)31(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-13,16-17,22-23,28,31-32H,8-9,14-15,18-21H2,1H3,(H,35,42)
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Article
PubMed
2.13E+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))
BDBM50393462
PNG
(CHEMBL2159939)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C34H37N7O/c1-24-16-17-30-27(22-24)23-29(34(42)35-30)32(33-36-37-38-41(33)28-14-8-9-15-28)40-20-18-39(19-21-40)31(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-13,16-17,22-23,28,31-32H,8-9,14-15,18-21H2,1H3,(H,35,42)
PDB

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Article
PubMed
n/an/a 6.31E+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