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SMILES: COc1cccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1Cl

InChI Key: InChIKey=RAZJJMAZDRQDPE-PMVMPFDFSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 186814   
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
RAF proto-oncogene serine/threonine-protein kinase [306-648,Y340D,Y341D]


(Homo sapiens (Human))
BDBM186814
PNG
(US9670203, Compound 1.6)
Show SMILES COc1cccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1Cl |r|
Show InChI InChI=1S/C25H21ClN4O5/c1-33-18-4-2-3-15(21(18)26)28-25(32)30-22-20-14-11-12(5-7-16(14)35-23(20)22)34-17-9-10-27-24-13(17)6-8-19(31)29-24/h2-5,7,9-11,20,22-23H,6,8H2,1H3,(H,27,29,31)(H2,28,30,32)/t20-,22-,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 330n/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
Serine/threonine-protein kinase B-raf [416-766,V600E]


(Homo sapiens (Human))
BDBM186814
PNG
(US9670203, Compound 1.6)
Show SMILES COc1cccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1Cl |r|
Show InChI InChI=1S/C25H21ClN4O5/c1-33-18-4-2-3-15(21(18)26)28-25(32)30-22-20-14-11-12(5-7-16(14)35-23(20)22)34-17-9-10-27-24-13(17)6-8-19(31)29-24/h2-5,7,9-11,20,22-23H,6,8H2,1H3,(H,27,29,31)(H2,28,30,32)/t20-,22-,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90E+3n/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