new BindingDB logo
myBDB logout

BDBM50377763 CHEMBL258454

SMILES: CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C(F)(F)F

InChI Key: InChIKey=YVQXWWGTOPSSIH-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 = 50377763   
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))
BDBM50377763
PNG
(CHEMBL258454)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N6O/c1-28-22-29-10-9-17(31-22)20-19(32-21(33-20)23(25,26)27)14-3-2-4-16(12-14)30-18(34)11-13-5-7-15(24)8-6-13/h2-10,12H,11H2,1H3,(H,30,34)(H,32,33)(H,28,29,31)
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 30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of B-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377763
PNG
(CHEMBL258454)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N6O/c1-28-22-29-10-9-17(31-22)20-19(32-21(33-20)23(25,26)27)14-3-2-4-16(12-14)30-18(34)11-13-5-7-15(24)8-6-13/h2-10,12H,11H2,1H3,(H,30,34)(H,32,33)(H,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair