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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf [V600E]' and Ligand = 'BDBM103716'   
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 [V600E]


(Homo sapiens (Human))
BDBM103716
PNG
(US8563553, 141)
Show SMILES CCCS(=O)(=O)Nc1cccc(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)(C)C)c1F |r|
Show InChI InChI=1S/C25H34FN7O4S/c1-7-13-38(35,36)33-17-10-8-9-16(19(17)26)20-21(32-22(31-20)25(3,4)5)18-11-12-27-23(30-18)28-14-15(2)29-24(34)37-6/h8-12,15,33H,7,13-14H2,1-6H3,(H,29,34)(H,31,32)(H,27,28,30)/t15-/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.380n/an/an/an/a7.5n/a



Novartis AG; IRM LLC

US Patent


Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay.


US Patent US8563553 (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44R7
More data for this
Ligand-Target Pair