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SMILES: O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)NC1CCCC1

InChI Key: InChIKey=XYRCEQYRLQAABV-ACRUOGEOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 189798   
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))		BDBM189798
PNG
(US9670203, Compound 1.51)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)NC1CCCC1 |r|
Show InChI InChI=1S/C23H24N4O4/c28-18-8-6-14-17(9-10-24-22(14)26-18)30-13-5-7-16-15(11-13)19-20(21(19)31-16)27-23(29)25-12-3-1-2-4-12/h5,7,9-12,19-21H,1-4,6,8H2,(H,24,26,28)(H2,25,27,29)/t19-,20-,21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 590n/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