new BindingDB logo
myBDB logout

BDBM50377765 CHEMBL254966

SMILES: NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C2CC2)c1

InChI Key: InChIKey=DHKLNHJGUIVJOP-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 = 50377765   
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))
BDBM50377765
PNG
(CHEMBL254966)
Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C2CC2)c1
Show InChI InChI=1S/C31H26ClN7O2/c32-22-11-7-18(8-12-22)15-26(40)35-23-5-1-3-20(16-23)27-28(39-30(38-27)19-9-10-19)25-13-14-34-31(37-25)36-24-6-2-4-21(17-24)29(33)41/h1-8,11-14,16-17,19H,9-10,15H2,(H2,33,41)(H,35,40)(H,38,39)(H,34,36,37)
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 4n/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))
BDBM50377765
PNG
(CHEMBL254966)
Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C2CC2)c1
Show InChI InChI=1S/C31H26ClN7O2/c32-22-11-7-18(8-12-22)15-26(40)35-23-5-1-3-20(16-23)27-28(39-30(38-27)19-9-10-19)25-13-14-34-31(37-25)36-24-6-2-4-21(17-24)29(33)41/h1-8,11-14,16-17,19H,9-10,15H2,(H2,33,41)(H,35,40)(H,38,39)(H,34,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/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