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BDBM50215776 CHEMBL247591::N-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-2-((2-(3-methoxypropylamino)pyridin-4-yl)methylamino)benzamide

SMILES: COCCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1

InChI Key: InChIKey=ZUURGOPVVCUCTB-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50215776   
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))
BDBM50215776
PNG
(CHEMBL247591 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES COCCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C24H24F2N4O4/c1-32-12-4-10-27-22-13-16(9-11-28-22)15-29-19-6-3-2-5-18(19)23(31)30-17-7-8-20-21(14-17)34-24(25,26)33-20/h2-3,5-9,11,13-14,29H,4,10,12,15H2,1H3,(H,27,28)(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 156n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of b-Raf


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215776
PNG
(CHEMBL247591 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES COCCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C24H24F2N4O4/c1-32-12-4-10-27-22-13-16(9-11-28-22)15-29-19-6-3-2-5-18(19)23(31)30-17-7-8-20-21(14-17)34-24(25,26)33-20/h2-3,5-9,11,13-14,29H,4,10,12,15H2,1H3,(H,27,28)(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair