BDBM101618 US8530652, 114

SMILES Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C

InChI Key InChIKey=AYCPARAPKDAOEN-UHFFFAOYSA-N

Data  2 KI  10 IC50  1 Kd

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 86 hits for monomerid = 101618   

LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 1nMAssay Description:Inhibition of human AMPK alpha1/beta1/gamma1 in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetSerine/threonine-protein kinase PAK 4(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of human PAK4 expressed in TR-293-KDG cells assessed as inhibition of GEFH1 phosphorylation at S180 using GEFH1 as substrate incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase PAK 4(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of PAK4 Kinase domain (291 to 591 residues) (unknown origin) transfected in TR-293-KDG cells using GEFH1 as substrate assessed as inhibiti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 2nMAssay Description:Inhibition of human RSK1 in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 2nMAssay Description:Inhibition of human RSK2 in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetSerine/threonine-protein kinase PAK 4(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKd:  2.70nMAssay Description:Binding affinity to human PAK4 (300 to 591 residues) assessed as dissociation constant by isothermal calorimetric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase PAK 4(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKd:  2.70nMAssay Description:Binding affinity to PAK4 catalytic domain (unknown origin) assessed as equilibrium dissociation constant at 50 uM by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase PAK 4(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKd:  2.70nMAssay Description:Binding affinity to N-terminal his6-tagged human recombinant PAK4 (300 to 591 residues) assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  3nMAssay Description:Inhibition of human CHK2 assessed as inhibition constant in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetSerine/threonine-protein kinase PAK 4(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKd:  4.5nMAssay Description:Binding affinity to biotin-tagged PAK4 (unknown origin) assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  5nMAssay Description:Inhibition of human RSK1 assessed as inhibition constant in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  5nMAssay Description:Inhibition of human RSK2 assessed as inhibition constant in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  5nMAssay Description:Inhibition of human AMPK alpha1/beta1/gamma1 assessed as inhibition constant in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 7nMAssay Description:Inhibition of CDK7 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetSerine/threonine-protein kinase PAK 4(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 9nMAssay Description:Inhibition of PAK4 (unknown origin) using lipid substrate incubated for 40 mins in presence of ATP by ADP-Glo plus luminescence kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  10nMAssay Description:Inhibition of human PKCtheta assessed as inhibition constant in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  11nMAssay Description:Inhibition of human RSK3 assessed as inhibition constant in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 13nMAssay Description:Inhibition of human CHK2 in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetSerine/threonine-protein kinase PAK 1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 14nMAssay Description:Inhibition of PAK1 (unknown origin) using Syntide2 peptide as substrate by pyruvate kinase/lactate dehydrogenase coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  14nMAssay Description:Inhibition of recombinant PAK1 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetSerine/threonine-protein kinase PAK 1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  14nMAssay Description:Inhibition of PAK1 (unknown origin) using Syntide-2 PLARTLSVAGLPGKK peptide as substrate assessed as inhibition constant in presence of ATP by bioche...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 14nMAssay Description:Inhibition of PAK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetSerine/threonine-protein kinase PAK 4(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  15nMAssay Description:Inhibition of N-terminal His6-tagged human recombinant PAK4 (300 to 591 amino acids) using peptide-7 substrate by pyruvate kinase and lactate dehydro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  15nMAssay Description:Inhibition of human PRKG1 assessed as inhibition constant in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  15nMAssay Description:Inhibition of human FGR assessed as inhibition constant in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetSerine/threonine-protein kinase PAK 6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 17nMAssay Description:Inhibition of PAK6 (unknown origin) using peptide 7 as substrate by pyruvate kinase/lactate dehydrogenase coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase PAK 6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 17nMAssay Description:Inhibition of PAK6 (unknown origin) using EVPRRKSLVGTPYWM peptide as substrate assessed as inhibition constant in presence of ATP by biochemical assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase PAK 5(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 18nMAssay Description:Inhibition of PAK5 (unknown origin) using peptide 7 as substrate by pyruvate kinase/lactate dehydrogenase coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PAK 5(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  18nMAssay Description:Inhibition of PAK5 (unknown origin) using EVPRRKSLVGTPYWM peptide as substrate assessed as inhibition constant in presence of ATP by biochemical assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetSerine/threonine-protein kinase PAK 4(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  19nMAssay Description:Inhibition of N-terminal 6His-tagged human recombinant PAK4 kinase domain (300 to 591 residues) using EVPRRKSLVGTPYWM peptide as substrate assessed a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase PAK 4(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 19nMAssay Description:Inhibition of N-terminal His6-tagged recombinant human PAK4 kinase domain (300 to 591) using peptide 7 as substrate by pyruvate kinase/lactate dehydr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase PAK 4(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 19nMAssay Description:Inhibition of recombinant human N-terminal 6His-tagged PAK4 kinase domain (300 to 591 residues) incubated in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase PAK 4(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 19nMAssay Description:Inhibition of PAK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  21nMAssay Description:Inhibition of human PKD2 (PRKD2) assessed as inhibition constant in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  21nMAssay Description:Inhibition of human PKCmu assessed as inhibition constant in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 21nMAssay Description:Inhibition of human PKCmu in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 23nMAssay Description:Inhibition of human FGR in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  26nMAssay Description:Inhibition of human FYN assessed as inhibition constant in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 26nMAssay Description:Inhibition of human PKD2 (PRKD2) in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 28nMAssay Description:Inhibition of human PKCtheta in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  32nMAssay Description:Inhibition of human SRC assessed as inhibition constant in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 34nMAssay Description:Inhibition of human PRKG1 in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetSerine/threonine-protein kinase PAK 4(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 38nMAssay Description:Inhibition of human PAK4 assessed as enzymatic activity incubated for 20 mins by filter binding methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase PAK 1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  39nMAssay Description:Inhibition of PAK1 (unknown origin) using Syntide2 peptide substrate by pyruvate kinase and lactate dehydrogenase coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 40nMAssay Description:Inhibition of human AMPK alpha1/beta1/gamma1 in presence of ATP by cellular assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  43nMAssay Description:Inhibition of human YES1 assessed as inhibition constant in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataKi:  43nMAssay Description:Inhibition of human PKCgamma assessed as inhibition constant in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 46nMAssay Description:Inhibition of human FYN in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 47nMAssay Description:Inhibition of human YES1 in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM101618(US8530652, 114)
Affinity DataIC50: 55nMAssay Description:Inhibition of human SRC in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
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