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BDBM50215793 4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carbamoyl)thiophen-3-ylamino)methyl)-N-methylpicolinamide::CHEMBL247618

SMILES: CNC(=O)c1cc(CNc2ccsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1

InChI Key: InChIKey=CXDOYTGMCAHUID-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 = 50215793   
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))
BDBM50215793
PNG
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)
Show SMILES CNC(=O)c1cc(CNc2ccsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C20H16F2N4O4S/c1-23-18(27)14-8-11(4-6-24-14)10-25-13-5-7-31-17(13)19(28)26-12-2-3-15-16(9-12)30-20(21,22)29-15/h2-9,25H,10H2,1H3,(H,23,27)(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/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))
BDBM50215793
PNG
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)
Show SMILES CNC(=O)c1cc(CNc2ccsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C20H16F2N4O4S/c1-23-18(27)14-8-11(4-6-24-14)10-25-13-5-7-31-17(13)19(28)26-12-2-3-15-16(9-12)30-20(21,22)29-15/h2-9,25H,10H2,1H3,(H,23,27)(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 61n/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