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BDBM103631 US8563553, 56

SMILES: CCC(C)S(=O)(=O)Nc1cc(Cl)cc(c1)-c1[nH]c(nc1-c1ccnc(NC[C@H](C)NC(=O)OC)n1)C(C)(C)C

InChI Key: InChIKey=MRPOACDQGFMWBR-VYRBHSGPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 103631   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM103631
PNG
(US8563553, 56)
Show SMILES CCC(C)S(=O)(=O)Nc1cc(Cl)cc(c1)-c1[nH]c(nc1-c1ccnc(NC[C@H](C)NC(=O)OC)n1)C(C)(C)C |r|
Show InChI InChI=1S/C26H36ClN7O4S/c1-8-16(3)39(36,37)34-19-12-17(11-18(27)13-19)21-22(33-23(32-21)26(4,5)6)20-9-10-28-24(31-20)29-14-15(2)30-25(35)38-7/h9-13,15-16,34H,8,14H2,1-7H3,(H,30,35)(H,32,33)(H,28,29,31)/t15-,16?/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.5n/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