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BDBM50215765 4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carbamoyl)phenylamino)methyl)-N-ethylpicolinamide::CHEMBL248226

SMILES: CCNC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1

InChI Key: InChIKey=LQXIQYJEMNHPCH-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50215765   
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))
BDBM50215765
PNG
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)
Show SMILES CCNC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C23H20F2N4O4/c1-2-26-22(31)18-11-14(9-10-27-18)13-28-17-6-4-3-5-16(17)21(30)29-15-7-8-19-20(12-15)33-23(24,25)32-19/h3-12,28H,2,13H2,1H3,(H,26,31)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 333n/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))
BDBM50215765
PNG
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)
Show SMILES CCNC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C23H20F2N4O4/c1-2-26-22(31)18-11-14(9-10-27-18)13-28-17-6-4-3-5-16(17)21(30)29-15-7-8-19-20(12-15)33-23(24,25)32-19/h3-12,28H,2,13H2,1H3,(H,26,31)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/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