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BDBM50504170 CHEMBL4553144

SMILES: COc1ccc(cc1Cl)-c1nn(cc1-c1ccncc1)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1

InChI Key: InChIKey=VFOKXQSPITZZJM-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50504170   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50504170
PNG
(CHEMBL4553144)
Show SMILES COc1ccc(cc1Cl)-c1nn(cc1-c1ccncc1)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C29H20ClF3N4O2/c1-39-26-9-8-19(15-25(26)30)27-24(18-10-12-34-13-11-18)17-37(36-27)23-7-3-6-22(16-23)35-28(38)20-4-2-5-21(14-20)29(31,32)33/h2-17H,1H3,(H,35,38)
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human BRAF V600E mutant using MEK1 as substrate by [gamma-34P]-ATP assay


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111684
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50504170
PNG
(CHEMBL4553144)
Show SMILES COc1ccc(cc1Cl)-c1nn(cc1-c1ccncc1)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C29H20ClF3N4O2/c1-39-26-9-8-19(15-25(26)30)27-24(18-10-12-34-13-11-18)17-37(36-27)23-7-3-6-22(16-23)35-28(38)20-4-2-5-21(14-20)29(31,32)33/h2-17H,1H3,(H,35,38)
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PC sid
UniChem
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n/an/a 22n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using MBP as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111684
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50504170
PNG
(CHEMBL4553144)
Show SMILES COc1ccc(cc1Cl)-c1nn(cc1-c1ccncc1)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C29H20ClF3N4O2/c1-39-26-9-8-19(15-25(26)30)27-24(18-10-12-34-13-11-18)17-37(36-27)23-7-3-6-22(16-23)35-28(38)20-4-2-5-21(14-20)29(31,32)33/h2-17H,1H3,(H,35,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human c-MET using KKKSPGEYVNIEFG as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111684
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50504170
PNG
(CHEMBL4553144)
Show SMILES COc1ccc(cc1Cl)-c1nn(cc1-c1ccncc1)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C29H20ClF3N4O2/c1-39-26-9-8-19(15-25(26)30)27-24(18-10-12-34-13-11-18)17-37(36-27)23-7-3-6-22(16-23)35-28(38)20-4-2-5-21(14-20)29(31,32)33/h2-17H,1H3,(H,35,38)
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PC sid
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n/an/a 1.31E+4n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human ERG incubated for 4 hrs by competitive fluorescence tracer binding based assay


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111684
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50504170
PNG
(CHEMBL4553144)
Show SMILES COc1ccc(cc1Cl)-c1nn(cc1-c1ccncc1)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C29H20ClF3N4O2/c1-39-26-9-8-19(15-25(26)30)27-24(18-10-12-34-13-11-18)17-37(36-27)23-7-3-6-22(16-23)35-28(38)20-4-2-5-21(14-20)29(31,32)33/h2-17H,1H3,(H,35,38)
PDB
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NCI pathway
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PC cid
PC sid
UniChem
Article
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n/an/an/an/a 520n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of recombinant Nanoluc-tagged p38alpha (unknown origin) expressed in HEK293 cells incubated for 2 to 3 mins by NanoBRET assay


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111684
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50504170
PNG
(CHEMBL4553144)
Show SMILES COc1ccc(cc1Cl)-c1nn(cc1-c1ccncc1)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C29H20ClF3N4O2/c1-39-26-9-8-19(15-25(26)30)27-24(18-10-12-34-13-11-18)17-37(36-27)23-7-3-6-22(16-23)35-28(38)20-4-2-5-21(14-20)29(31,32)33/h2-17H,1H3,(H,35,38)
PDB
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NCI pathway
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KEGG

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 336n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human RAF1 using MEK1 as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111684
More data for this
Ligand-Target Pair