Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50514788' 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)) | BDBM50514788
(CHEMBL4440761)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-n1cc(-c2cncnc2)c2nc(ccc12)N(C)C1CCN(CC1)C(=O)CCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)N(C)C3=O)C(=O)c12 |(-10.34,9.68,;-9.01,10.47,;-7.68,9.7,;-6.34,10.46,;-7.12,11.8,;-5.58,11.81,;-5.02,9.7,;-5.02,8.16,;-6.35,7.39,;-6.35,5.84,;-5.01,5.08,;-5.01,3.54,;-3.67,5.85,;-3.68,7.38,;-2.36,8.16,;-2.34,5.09,;-.93,5.72,;.12,4.57,;1.65,4.75,;2.55,3.5,;4.08,3.66,;4.7,5.08,;3.79,6.33,;2.26,6.16,;-.66,3.25,;-.17,1.79,;-1.2,.66,;-2.71,.96,;-3.18,2.42,;-2.16,3.56,;-.7,-.82,;-1.73,-1.97,;.81,-1.13,;1.29,-2.58,;2.79,-2.9,;3.82,-1.75,;3.34,-.29,;1.83,.05,;5.33,-2.07,;6.35,-.92,;5.81,-3.53,;7.32,-3.84,;7.8,-5.31,;9.3,-5.62,;9.78,-7.09,;11.29,-7.4,;11.77,-8.86,;13.28,-9.18,;13.76,-10.64,;15.27,-10.96,;15.75,-12.42,;17.25,-12.74,;17.73,-14.2,;16.71,-15.34,;17.18,-16.8,;18.69,-17.12,;19.72,-15.96,;21.25,-15.94,;22.17,-17.18,;21.71,-14.48,;23.17,-13.99,;24.32,-15.02,;25.78,-14.54,;26.09,-13.03,;27.55,-12.55,;24.94,-12,;25.25,-10.5,;23.47,-12.49,;22.32,-11.47,;20.47,-13.59,;20.45,-12.05,;19.24,-14.5,)| Show InChI InChI=1S/C49H56F2N10O10S/c1-4-26-72(67,68)56-37-9-8-35(50)46(44(37)51)60-29-34(31-27-52-30-53-28-31)45-38(60)10-12-40(55-45)57(2)32-14-18-59(19-15-32)42(63)16-20-69-22-24-71-25-23-70-21-17-54-36-7-5-6-33-43(36)49(66)61(47(33)64)39-11-13-41(62)58(3)48(39)65/h5-10,12,27-30,32,39,54,56H,4,11,13-26H2,1-3H3 | 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 | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a |
Cullgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to DNA-tagged BRAF (unknown origin) by KINOMEscan assay |
J Med Chem 63: 4069-4080 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02083
BindingDB Entry DOI: 10.7270/Q2XD1511 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50514788
(CHEMBL4440761)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-n1cc(-c2cncnc2)c2nc(ccc12)N(C)C1CCN(CC1)C(=O)CCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)N(C)C3=O)C(=O)c12 |(-10.34,9.68,;-9.01,10.47,;-7.68,9.7,;-6.34,10.46,;-7.12,11.8,;-5.58,11.81,;-5.02,9.7,;-5.02,8.16,;-6.35,7.39,;-6.35,5.84,;-5.01,5.08,;-5.01,3.54,;-3.67,5.85,;-3.68,7.38,;-2.36,8.16,;-2.34,5.09,;-.93,5.72,;.12,4.57,;1.65,4.75,;2.55,3.5,;4.08,3.66,;4.7,5.08,;3.79,6.33,;2.26,6.16,;-.66,3.25,;-.17,1.79,;-1.2,.66,;-2.71,.96,;-3.18,2.42,;-2.16,3.56,;-.7,-.82,;-1.73,-1.97,;.81,-1.13,;1.29,-2.58,;2.79,-2.9,;3.82,-1.75,;3.34,-.29,;1.83,.05,;5.33,-2.07,;6.35,-.92,;5.81,-3.53,;7.32,-3.84,;7.8,-5.31,;9.3,-5.62,;9.78,-7.09,;11.29,-7.4,;11.77,-8.86,;13.28,-9.18,;13.76,-10.64,;15.27,-10.96,;15.75,-12.42,;17.25,-12.74,;17.73,-14.2,;16.71,-15.34,;17.18,-16.8,;18.69,-17.12,;19.72,-15.96,;21.25,-15.94,;22.17,-17.18,;21.71,-14.48,;23.17,-13.99,;24.32,-15.02,;25.78,-14.54,;26.09,-13.03,;27.55,-12.55,;24.94,-12,;25.25,-10.5,;23.47,-12.49,;22.32,-11.47,;20.47,-13.59,;20.45,-12.05,;19.24,-14.5,)| Show InChI InChI=1S/C49H56F2N10O10S/c1-4-26-72(67,68)56-37-9-8-35(50)46(44(37)51)60-29-34(31-27-52-30-53-28-31)45-38(60)10-12-40(55-45)57(2)32-14-18-59(19-15-32)42(63)16-20-69-22-24-71-25-23-70-21-17-54-36-7-5-6-33-43(36)49(66)61(47(33)64)39-11-13-41(62)58(3)48(39)65/h5-10,12,27-30,32,39,54,56H,4,11,13-26H2,1-3H3 | 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 | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a |
Cullgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to DNA-tagged BRAF (unknown origin) V600E mutant by KINOMEscan assay |
J Med Chem 63: 4069-4080 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02083
BindingDB Entry DOI: 10.7270/Q2XD1511 |
More data for this
Ligand-Target Pair | |
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