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BDBM50215798 CHEMBL395700::N-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-2-((2-(3-hydroxypropylamino)pyridin-4-yl)methylamino)benzamide

SMILES: OCCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1

InChI Key: InChIKey=IHZBPVIBWDITMK-UHFFFAOYSA-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 = 50215798   
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215798
PNG
(CHEMBL395700 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES OCCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C23H22F2N4O4/c24-23(25)32-19-7-6-16(13-20(19)33-23)29-22(31)17-4-1-2-5-18(17)28-14-15-8-10-27-21(12-15)26-9-3-11-30/h1-2,4-8,10,12-13,28,30H,3,9,11,14H2,(H,26,27)(H,29,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9n/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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50215798
PNG
(CHEMBL395700 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES OCCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C23H22F2N4O4/c24-23(25)32-19-7-6-16(13-20(19)33-23)29-22(31)17-4-1-2-5-18(17)28-14-15-8-10-27-21(12-15)26-9-3-11-30/h1-2,4-8,10,12-13,28,30H,3,9,11,14H2,(H,26,27)(H,29,31)
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 142n/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