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BDBM50121690 CHEMBL3616960

SMILES: CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(NC(=O)c2cnoc2C)c1

InChI Key: InChIKey=XQGUIRKPWAXDLW-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50121690   
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 serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50121690
PNG
(CHEMBL3616960)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(NC(=O)c2cnoc2C)c1
Show InChI InChI=1S/C25H26F3N5O3/c1-15-4-5-19(13-22(15)31-24(35)21-14-29-36-16(21)2)30-23(34)17-10-18(25(26,27)28)12-20(11-17)33-8-6-32(3)7-9-33/h4-5,10-14H,6-9H2,1-3H3,(H,30,34)(H,31,35)
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n/an/a 5.96E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of BRAF (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)


BindingDB Entry DOI: 10.7270/Q2XG9SXV
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50121690
PNG
(CHEMBL3616960)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(NC(=O)c2cnoc2C)c1
Show InChI InChI=1S/C25H26F3N5O3/c1-15-4-5-19(13-22(15)31-24(35)21-14-29-36-16(21)2)30-23(34)17-10-18(25(26,27)28)12-20(11-17)33-8-6-32(3)7-9-33/h4-5,10-14H,6-9H2,1-3H3,(H,30,34)(H,31,35)
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PC sid
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n/an/a 668n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of BRAF V599E mutant (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)


BindingDB Entry DOI: 10.7270/Q2XG9SXV
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50121690
PNG
(CHEMBL3616960)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(NC(=O)c2cnoc2C)c1
Show InChI InChI=1S/C25H26F3N5O3/c1-15-4-5-19(13-22(15)31-24(35)21-14-29-36-16(21)2)30-23(34)17-10-18(25(26,27)28)12-20(11-17)33-8-6-32(3)7-9-33/h4-5,10-14H,6-9H2,1-3H3,(H,30,34)(H,31,35)
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n/an/a 45n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)


BindingDB Entry DOI: 10.7270/Q2XG9SXV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50121690
PNG
(CHEMBL3616960)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(NC(=O)c2cnoc2C)c1
Show InChI InChI=1S/C25H26F3N5O3/c1-15-4-5-19(13-22(15)31-24(35)21-14-29-36-16(21)2)30-23(34)17-10-18(25(26,27)28)12-20(11-17)33-8-6-32(3)7-9-33/h4-5,10-14H,6-9H2,1-3H3,(H,30,34)(H,31,35)
PDB
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n/an/a 66n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of Lyn (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)


BindingDB Entry DOI: 10.7270/Q2XG9SXV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50121690
PNG
(CHEMBL3616960)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(NC(=O)c2cnoc2C)c1
Show InChI InChI=1S/C25H26F3N5O3/c1-15-4-5-19(13-22(15)31-24(35)21-14-29-36-16(21)2)30-23(34)17-10-18(25(26,27)28)12-20(11-17)33-8-6-32(3)7-9-33/h4-5,10-14H,6-9H2,1-3H3,(H,30,34)(H,31,35)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 10n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of FMS (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)


BindingDB Entry DOI: 10.7270/Q2XG9SXV
More data for this
Ligand-Target Pair