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BDBM50363398 CHEMBL1946171

SMILES: Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2ccc(Oc3ccnc(c3)-c3c[nH]c(n3)C(F)(F)F)cc12

InChI Key: InChIKey=HRCJMYWMDPFSHS-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50363398   
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


(Homo sapiens (Human))
BDBM50363398
PNG
(CHEMBL1946171)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2ccc(Oc3ccnc(c3)-c3c[nH]c(n3)C(F)(F)F)cc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-20-11-15(37-16-8-9-31-18(10-16)19-12-32-21(34-19)24(28,29)30)6-7-17(20)35-22(36)33-14-4-2-13(3-5-14)23(25,26)27/h2-12H,1H3,(H,32,34)(H,33,35)
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of wild-type B-Raf


Bioorg Med Chem Lett 22: 789-92 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.060
BindingDB Entry DOI: 10.7270/Q2SQ90VM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50363398
PNG
(CHEMBL1946171)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2ccc(Oc3ccnc(c3)-c3c[nH]c(n3)C(F)(F)F)cc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-20-11-15(37-16-8-9-31-18(10-16)19-12-32-21(34-19)24(28,29)30)6-7-17(20)35-22(36)33-14-4-2-13(3-5-14)23(25,26)27/h2-12H,1H3,(H,32,34)(H,33,35)
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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 22: 789-92 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.060
BindingDB Entry DOI: 10.7270/Q2SQ90VM
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50363398
PNG
(CHEMBL1946171)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2ccc(Oc3ccnc(c3)-c3c[nH]c(n3)C(F)(F)F)cc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-20-11-15(37-16-8-9-31-18(10-16)19-12-32-21(34-19)24(28,29)30)6-7-17(20)35-22(36)33-14-4-2-13(3-5-14)23(25,26)27/h2-12H,1H3,(H,32,34)(H,33,35)
PDB
MMDB

NCI pathway
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


Bioorg Med Chem Lett 22: 789-92 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.060
BindingDB Entry DOI: 10.7270/Q2SQ90VM
More data for this
Ligand-Target Pair