BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50075581'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50075581
PNG
(CHEMBL3415555)
Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1
Show InChI InChI=1S/C17H15ClF2N4O3S/c1-3-24(2)28(26,27)23-10-5-13(19)15(14(20)6-10)16(25)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,3H2,1-2H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<100n/an/an/an/an/an/a



UMR CNRS-Universit£ d'Orl£ans 7311

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant (unknown origin) assessed as inhibition of phosphorylation of peptide substrate


J Med Chem 58: 1818-31 (2015)


Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50075581
PNG
(CHEMBL3415555)
Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1
Show InChI InChI=1S/C17H15ClF2N4O3S/c1-3-24(2)28(26,27)23-10-5-13(19)15(14(20)6-10)16(25)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,3H2,1-2H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



UMR CNRS-Universit£ d'Orl£ans 7311

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant in human A375 cells assessed as phosphorylation of ERK


J Med Chem 58: 1818-31 (2015)


Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50075581
PNG
(CHEMBL3415555)
Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1
Show InChI InChI=1S/C17H15ClF2N4O3S/c1-3-24(2)28(26,27)23-10-5-13(19)15(14(20)6-10)16(25)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,3H2,1-2H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



UMR CNRS-Universit£ d'Orl£ans 7311

Curated by ChEMBL


Assay Description
Activation of tumorigenic wild type B-Raf in human IPC-298 cells with Ras mutation assessed as phosphorylation of ERK


J Med Chem 58: 1818-31 (2015)


Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50075581
PNG
(CHEMBL3415555)
Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1
Show InChI InChI=1S/C17H15ClF2N4O3S/c1-3-24(2)28(26,27)23-10-5-13(19)15(14(20)6-10)16(25)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,3H2,1-2H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 550n/an/an/an/an/a



UMR CNRS-Universit£ d'Orl£ans 7311

Curated by ChEMBL


Assay Description
Binding affinity to B-Raf V600E mutant (unknown origin)


J Med Chem 58: 1818-31 (2015)


Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50075581
PNG
(CHEMBL3415555)
Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1
Show InChI InChI=1S/C17H15ClF2N4O3S/c1-3-24(2)28(26,27)23-10-5-13(19)15(14(20)6-10)16(25)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,3H2,1-2H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 400n/an/an/an/an/a



UMR CNRS-Universit£ d'Orl£ans 7311

Curated by ChEMBL


Assay Description
Binding affinity to wild type B-Raf (unknown origin)


J Med Chem 58: 1818-31 (2015)


Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7
More data for this
Ligand-Target Pair