BDBM50307942 4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide::CHEMBL598194::US8796293, 69

SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NCc1ccc(Cl)cc1

InChI Key InChIKey=XQPFDQVEBGYLHB-UHFFFAOYSA-N

Data  12 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50307942   

TargetRho-associated protein kinase 2(Homo sapiens (Human))
The Institute of Cancer Research

US Patent
LigandPNGBDBM50307942(4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyr...)
Affinity DataIC50:  143nMpH: 7.5 T: 2°CAssay Description:In a final reaction volume of 25 ul, ROCK-II (h) (5-10 mU) is incubated with 50 mM Tris pH 7.5, 0.1 mM EGTA, 30 uM KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK (...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 1A2(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50307942(4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2 in human microsomal preparationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50307942(4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 in human microsomal preparationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50307942(4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A4 in human microsomal preparationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50307942(4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyr...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of CYP2C9 in human microsomal preparationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50307942(4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyr...)
Affinity DataIC50:  5.24E+3nMAssay Description:Inhibition of human ERG expressed in CHO cells by ionworks assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRAC-beta serine/threonine-protein kinase(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50307942(4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyr...)
Affinity DataIC50:  2.20nMAssay Description:Inhibition of PKBbeta by radiometric filter binding assayMore data for this Ligand-Target Pair
TargetRAC-beta serine/threonine-protein kinase(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50307942(4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyr...)
Affinity DataIC50:  66nMAssay Description:Inhibition of recombinant Akt2 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50307942(4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyr...)
Affinity DataIC50:  13nMAssay Description:Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRho-associated protein kinase 2(Homo sapiens (Human))
The Institute of Cancer Research

US Patent
LigandPNGBDBM50307942(4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyr...)
Affinity DataIC50:  66nMAssay Description:Inhibition of recombinant ROCK2 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRAC-gamma serine/threonine-protein kinase(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50307942(4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyr...)
Affinity DataIC50:  57nMAssay Description:Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50307942(4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C19 in human microsomal preparationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed