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SMILES: COc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1

InChI Key: InChIKey=IOKZTFJGPBKSLS-VABKMULXSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 189794   
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 [416-766,V600E]


(Homo sapiens (Human))		BDBM189794
PNG
(US9670203, Compound 1.50)
Show SMILES COc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1 |r|
Show InChI InChI=1S/C25H22N4O5/c1-32-14-4-2-13(3-5-14)27-25(31)29-22-21-17-12-15(6-8-18(17)34-23(21)22)33-19-10-11-26-24-16(19)7-9-20(30)28-24/h2-6,8,10-12,21-23H,7,9H2,1H3,(H,26,28,30)(H2,27,29,31)/t21-,22-,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 800n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...

US Patent US9670203 (2017)


BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair