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BDBM188334 US9670203, Compound 1.40

SMILES: Fc1cc(F)c(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c(F)c1

InChI Key: InChIKey=ZPTOWZAHHCIDOJ-IPUBWBQSNA-N

Data: 2 IC50

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 = 188334   
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
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM188334
PNG
(US9670203, Compound 1.40)
Show SMILES Fc1cc(F)c(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c(F)c1 |r|
Show InChI InChI=1/C24H17F3N4O4/c25-10-7-14(26)20(15(27)8-10)30-24(33)31-21-19-13-9-11(1-3-16(13)35-22(19)21)34-17-5-6-28-23-12(17)2-4-18(32)29-23/h1,3,5-9,19,21-22H,2,4H2,(H,28,29,32)(H2,30,31,33)/t19-,21-,22-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 200n/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)


Article DOI: 10.1021/jm960802y
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM188334
PNG
(US9670203, Compound 1.40)
Show SMILES Fc1cc(F)c(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c(F)c1 |r|
Show InChI InChI=1/C24H17F3N4O4/c25-10-7-14(26)20(15(27)8-10)30-24(33)31-21-19-13-9-11(1-3-16(13)35-22(19)21)34-17-5-6-28-23-12(17)2-4-18(32)29-23/h1,3,5-9,19,21-22H,2,4H2,(H,28,29,32)(H2,30,31,33)/t19-,21-,22-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.60E+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)


Article DOI: 10.1021/jm960802y
More data for this
Ligand-Target Pair