null

SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

InChI Key InChIKey=GCIKSSRWRFVXBI-UHFFFAOYSA-N

PDB links: 11 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 13534   

TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Limited

LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKi:  80nM ΔG°:  -9.58kcal/molepH: 7.5 T: 2°CAssay Description:The kinase activity was determined by incubation of enzyme and its substrate, and test compound, in the presence ATP/[gamma-32P] ATP. After incubatio...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25M63ZFPubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Limited

LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKi:  80nMAssay Description:Inhibition of LckChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85920PubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Limited

LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  61nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q25719CMPCBioAssay
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Limited

LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  61nMAssay Description:Binding constant for LCK kinase domainMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25D8S70PubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Limited

LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  61nMAssay Description:Binding constant for LCK kinase domainMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4RX2PubMed