Found 6 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50484247' 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)) | BDBM50484247
(CHEMBL1822110)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F Show InChI InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after... |
ACS Med Chem Lett 2: 342-7 (2011)
Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484247
(CHEMBL1822110)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F Show InChI InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
ArrayBioPharma
Curated by ChEMBL
| Assay Description
Inhibition of full length B-Raf V600E mutant |
Bioorg Med Chem Lett 21: 5533-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484247
(CHEMBL1822110)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F Show InChI InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length B-Raf V600E mutant (unknown origin) |
Bioorg Med Chem Lett 23: 5896-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484247
(CHEMBL1822110)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F Show InChI InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation |
Bioorg Med Chem Lett 23: 5896-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484247
(CHEMBL1822110)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F Show InChI InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis |
ACS Med Chem Lett 2: 342-7 (2011)
Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484247
(CHEMBL1822110)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F Show InChI InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis |
ACS Med Chem Lett 2: 342-7 (2011)
Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM |
More data for this
Ligand-Target Pair | |
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