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Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'winssinger' and Initial = 'n'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557999
PNG
(CHEMBL4786214)
Show SMILES CC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)c1n[nH]c2ccc(cc12)[N+]([O-])=O)C(N)=O |t:5|
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250n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557998
PNG
(CHEMBL4796866)
Show SMILES CC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)c1n[nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:5|
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250n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557984
PNG
(CHEMBL4744734)
Show SMILES CCC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1CCCC(C1)NC(=O)C(C1CC1)n1cc(CC2CCCCC2)nn1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
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800n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557985
PNG
(CHEMBL4759705)
Show SMILES CCC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1CCCC(C1)NC(=O)C(C1CC1)n1cc(CC2CCCCC2)nn1)C(N)=O |r,t:6|
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800n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557997
PNG
(CHEMBL4786563)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)c1ccccc1NC(=O)c1n[nH]c2ccc(cc12)[N+]([O-])=O)C(N)=O |t:6|
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1.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557996
PNG
(CHEMBL4778692)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)c1ccccc1NC(=O)c1n[nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
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1.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557995
PNG
(CHEMBL4800222)
Show SMILES CCC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)CC1(CCCCC1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(N)=O |r,t:6|
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1.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557994
PNG
(CHEMBL4793855)
Show SMILES CCC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)CC1(CCCCC1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
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1.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557988
PNG
(CHEMBL4786891)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1(CC1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
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2.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557989
PNG
(CHEMBL4779255)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1(CC1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(N)=O |r,t:6|
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2.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557987
PNG
(CHEMBL4777832)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)CC1(CCCCC1)NC(=O)C(C1CC1)n1cc(CC2CCCCC2)nn1)C(N)=O |t:6|
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2.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557986
PNG
(CHEMBL4746426)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)CC1(CCCCC1)NC(=O)C(C1CC1)n1cc(CC2CCCCC2)nn1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
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2.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557981
PNG
(CHEMBL4796812)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)COCCOCCNC(=O)C(C1CC1)n1cc(nn1)-c1cccc(OC)c1)C(N)=O |t:6|
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2.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557980
PNG
(CHEMBL4741877)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)COCCOCCNC(=O)C(C1CC1)n1cc(nn1)-c1cccc(OC)c1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
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2.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557983
PNG
(CHEMBL4793211)
Show SMILES NC(=O)C(CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc12)NC(=O)Cc1ccc(CNC(=O)[C@H](C2CC2)n2cc(CC3CCCCC3)nn2)cc1 |r,t:14|
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3.01E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557982
PNG
(CHEMBL4762824)
Show SMILES NC(=O)C(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)NC(=O)C(CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc12)NC(=O)Cc1ccc(CNC(=O)[C@H](C2CC2)n2cc(CC3CCCCC3)nn2)cc1 |r,t:40|
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3.01E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557990
PNG
(CHEMBL4752726)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1CCCC(C1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
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3.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557991
PNG
(CHEMBL4754600)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1CCCC(C1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(N)=O |r,t:6|
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3.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557985
PNG
(CHEMBL4759705)
Show SMILES CCC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1CCCC(C1)NC(=O)C(C1CC1)n1cc(CC2CCCCC2)nn1)C(N)=O |r,t:6|
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3.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557984
PNG
(CHEMBL4744734)
Show SMILES CCC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1CCCC(C1)NC(=O)C(C1CC1)n1cc(CC2CCCCC2)nn1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
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3.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557992
PNG
(CHEMBL4762078)
Show SMILES CC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)CC1(CCCCC1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:5|
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3.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557993
PNG
(CHEMBL4740579)
Show SMILES CC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)CC1(CCCCC1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(N)=O |r,t:5|
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3.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557992
PNG
(CHEMBL4762078)
Show SMILES CC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)CC1(CCCCC1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:5|
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UniChem
Article
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6.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557993
PNG
(CHEMBL4740579)
Show SMILES CC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)CC1(CCCCC1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(N)=O |r,t:5|
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6.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557983
PNG
(CHEMBL4793211)
Show SMILES NC(=O)C(CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc12)NC(=O)Cc1ccc(CNC(=O)[C@H](C2CC2)n2cc(CC3CCCCC3)nn2)cc1 |r,t:14|
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6.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557982
PNG
(CHEMBL4762824)
Show SMILES NC(=O)C(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)NC(=O)C(CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc12)NC(=O)Cc1ccc(CNC(=O)[C@H](C2CC2)n2cc(CC3CCCCC3)nn2)cc1 |r,t:40|
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6.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557980
PNG
(CHEMBL4741877)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)COCCOCCNC(=O)C(C1CC1)n1cc(nn1)-c1cccc(OC)c1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
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7.01E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557981
PNG
(CHEMBL4796812)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)COCCOCCNC(=O)C(C1CC1)n1cc(nn1)-c1cccc(OC)c1)C(N)=O |t:6|
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7.01E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557988
PNG
(CHEMBL4786891)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1(CC1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
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7.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557989
PNG
(CHEMBL4779255)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1(CC1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(N)=O |r,t:6|
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TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557990
PNG
(CHEMBL4752726)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1CCCC(C1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
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1.22E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557991
PNG
(CHEMBL4754600)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1CCCC(C1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(N)=O |r,t:6|
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1.22E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557987
PNG
(CHEMBL4777832)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)CC1(CCCCC1)NC(=O)C(C1CC1)n1cc(CC2CCCCC2)nn1)C(N)=O |t:6|
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1.68E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557986
PNG
(CHEMBL4746426)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)CC1(CCCCC1)NC(=O)C(C1CC1)n1cc(CC2CCCCC2)nn1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
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1.68E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557998
PNG
(CHEMBL4796866)
Show SMILES CC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)c1n[nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:5|
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>2.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557999
PNG
(CHEMBL4786214)
Show SMILES CC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)c1n[nH]c2ccc(cc12)[N+]([O-])=O)C(N)=O |t:5|
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TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557997
PNG
(CHEMBL4786563)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)c1ccccc1NC(=O)c1n[nH]c2ccc(cc12)[N+]([O-])=O)C(N)=O |t:6|
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TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557996
PNG
(CHEMBL4778692)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)c1ccccc1NC(=O)c1n[nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
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TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557995
PNG
(CHEMBL4800222)
Show SMILES CCC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)CC1(CCCCC1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(N)=O |r,t:6|
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TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557994
PNG
(CHEMBL4793855)
Show SMILES CCC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)CC1(CCCCC1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:6|
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TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50341234
PNG
(4-(chloromethyl)-N-(4-methyl-3-(4-(pyridin-3-yl)py...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H20ClN5O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a 139n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type PDGFRalpha assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation count...


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 160n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type PDGFRalpha assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation count...


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341234
PNG
(4-(chloromethyl)-N-(4-methyl-3-(4-(pyridin-3-yl)py...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H20ClN5O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a 245n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type KIT assessed as [gamma33P]ATP incorporation into polyGluTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type KIT assessed as [gamma33P]ATP incorporation into polyGluTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341235
PNG
(4-(aminomethyl)-N-(4-methyl-3-(4-(pyridin-3-yl)pyr...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H22N6O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14,25H2,1H3,(H,28,31)(H,27,29,30)
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INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type KIT assessed as [gamma33P]ATP incorporation into polyGluTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341236
PNG
(4-((2-chloroacetamido)methyl)-N-(4-methyl-3-(4-(py...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CNC(=O)CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C26H23ClN6O2/c1-17-4-9-21(31-25(35)19-7-5-18(6-8-19)15-30-24(34)14-27)13-23(17)33-26-29-12-10-22(32-26)20-3-2-11-28-16-20/h2-13,16H,14-15H2,1H3,(H,30,34)(H,31,35)(H,29,32,33)
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n/an/a 788n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type KIT assessed as [gamma33P]ATP incorporation into polyGluTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50341236
PNG
(4-((2-chloroacetamido)methyl)-N-(4-methyl-3-(4-(py...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CNC(=O)CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C26H23ClN6O2/c1-17-4-9-21(31-25(35)19-7-5-18(6-8-19)15-30-24(34)14-27)13-23(17)33-26-29-12-10-22(32-26)20-3-2-11-28-16-20/h2-13,16H,14-15H2,1H3,(H,30,34)(H,31,35)(H,29,32,33)
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n/an/a 1.08E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type PDGFRalpha assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation count...


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50341235
PNG
(4-(aminomethyl)-N-(4-methyl-3-(4-(pyridin-3-yl)pyr...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H22N6O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14,25H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a 1.54E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type PDGFRalpha assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation count...


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 2.70E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type ABL1 assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341238
PNG
(4-(methacrylamidomethyl)-N-(4-methyl-3-(4-(pyridin...)
Show SMILES CC(=C)C(=O)NCc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C28H26N6O2/c1-18(2)26(35)31-16-20-7-9-21(10-8-20)27(36)32-23-11-6-19(3)25(15-23)34-28-30-14-12-24(33-28)22-5-4-13-29-17-22/h4-15,17H,1,16H2,2-3H3,(H,31,35)(H,32,36)(H,30,33,34)
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n/an/a 2.74E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type KIT assessed as [gamma33P]ATP incorporation into polyGluTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
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