BDBM50096279 CHEMBL3577124

SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C

InChI Key InChIKey=HHCBMISMPSAZBF-UHFFFAOYSA-N

Data  4 KI  30 IC50

  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 34 hits for monomerid = 50096279   

TargetSerine/threonine-protein kinase B-raf(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 31nMAssay Description:Competitive binding affinity to BRAF in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 31nMAssay Description:Inhibition of BRAF (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 5.5nMAssay Description:Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of BRAF (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase A-Raf(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of ARaf (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetRAF proto-oncogene serine/threonine-protein kinase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 42nMAssay Description:Inhibition of desthiobiotin-ATP acylphosphate probe binding to C-Raf in human A375 cells by MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 31nMAssay Description:Inhibition of desthiobiotin-ATP acylphosphate probe binding to B-Raf in human A375 cells by MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase A-Raf(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 44nMAssay Description:Inhibition of desthiobiotin-ATP acylphosphate probe binding to A-Raf in human A375 cells by MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetRAF proto-oncogene serine/threonine-protein kinase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 3.80nMAssay Description:Inhibition of cRAF (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 5.80E+3nMAssay Description:Inhibition of BRAF V600E mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2020
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 310nMAssay Description:Competitive binding affinity to SRC in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 970nMAssay Description:Competitive binding affinity to KHS1 in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 800nMAssay Description:Competitive binding affinity to MAP2K5 in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargeteIF-2-alpha kinase GCN2(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 450nMAssay Description:Competitive binding affinity to GCN2 in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetInterleukin-1 receptor-associated kinase 1(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 390nMAssay Description:Competitive binding affinity to IRAK1 in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetTyrosine-protein kinase CSK(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 290nMAssay Description:Competitive binding affinity to CSK in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase A-Raf(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 44nMAssay Description:Competitive binding affinity to ARAF in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetRAF proto-oncogene serine/threonine-protein kinase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 42nMAssay Description:Competitive binding affinity to CRAF in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 37nMAssay Description:Inhibition of BRAF V600E mutant in human A375 cells assessed as inhibition of ERK phosphorylation measured after 72 hrs by ELISA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetRAF proto-oncogene serine/threonine-protein kinase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 4.30nMAssay Description:Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 15nMAssay Description:Inhibition of wild type BRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 5.80nMAssay Description:Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of KDR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetEphrin type-A receptor 2(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 20nMAssay Description:Competitive binding affinity to EphA2 in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 39nMAssay Description:Competitive binding affinity to ZAK in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 61nMAssay Description:Competitive binding affinity to p38 in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetTyrosine-protein kinase Fyn(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 91nMAssay Description:Competitive binding affinity to FYN in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 98nMAssay Description:Competitive binding affinity to MAP3K1 in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetEphrin type-B receptor 4(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 100nMAssay Description:Competitive binding affinity to EphB4 in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataIC50: 380nMAssay Description:Competitive binding affinity to ABL in human A375 cells after 15 mins in presence of ATP analogueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetRAF proto-oncogene serine/threonine-protein kinase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataKi:  0.0610nMAssay Description:Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetRAF proto-oncogene serine/threonine-protein kinase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataKi:  0.0610nMAssay Description:Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataKi:  0.139nMAssay Description:Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50096279(CHEMBL3577124)
Affinity DataKi:  0.139nMAssay Description:Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed