Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50118379' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50118379
(CHEMBL3613195)Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C15H18N6O2S/c1-16-24(22,23)10-4-5-13(21(2)3)12(8-10)20-15-11-6-7-17-14(11)18-9-19-15/h4-9,16H,1-3H3,(H2,17,18,19,20) | 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/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of His6-tagged full length BRAF V600E mutant (2 to 766 residues) (unknown origin) expressed in Baculovirus expression system by BRAMA meth... |
J Med Chem 58: 7431-48 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00931
BindingDB Entry DOI: 10.7270/Q2FT8NV1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50118379
(CHEMBL3613195)Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C15H18N6O2S/c1-16-24(22,23)10-4-5-13(21(2)3)12(8-10)20-15-11-6-7-17-14(11)18-9-19-15/h4-9,16H,1-3H3,(H2,17,18,19,20) | 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/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of B-Raf (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00700
BindingDB Entry DOI: 10.7270/Q23X8BG9 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50118379
(CHEMBL3613195)Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C15H18N6O2S/c1-16-24(22,23)10-4-5-13(21(2)3)12(8-10)20-15-11-6-7-17-14(11)18-9-19-15/h4-9,16H,1-3H3,(H2,17,18,19,20) | 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/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full-length His6-tagged BRAF V600E mutant (2 to 766 residues) (unknown origin) expressed in baculovirus system by B-Raf accelerated MEK... |
Bioorg Med Chem Lett 26: 3355-3358 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.033
BindingDB Entry DOI: 10.7270/Q27083BJ |
More data for this
Ligand-Target Pair | |
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