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SMILES: COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)CC(C)C)c1)C(C)(C)C

InChI Key: InChIKey=VDWNXVOQQVRWGF-INIZCTEOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 103630   
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))		BDBM103630
PNG
(US8563553, 55)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)CC(C)C)c1)C(C)(C)C |r|
Show InChI InChI=1S/C26H36ClN7O4S/c1-15(2)14-39(36,37)34-19-11-17(10-18(27)12-19)21-22(33-23(32-21)26(4,5)6)20-8-9-28-24(31-20)29-13-16(3)30-25(35)38-7/h8-12,15-16,34H,13-14H2,1-7H3,(H,30,35)(H,32,33)(H,28,29,31)/t16-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 0.300n/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