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SMILES: NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)C2CC2)c1

InChI Key: InChIKey=OCBCSZRKQIGAFJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50377768   
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))
BDBM50377768
PNG
(CHEMBL402424)
Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)C2CC2)c1
Show InChI InChI=1S/C30H25Cl2N7O3S/c31-23-10-7-17(13-24(23)32)16-43(41,42)39-22-6-1-3-19(14-22)26-27(38-29(37-26)18-8-9-18)25-11-12-34-30(36-25)35-21-5-2-4-20(15-21)28(33)40/h1-7,10-15,18,39H,8-9,16H2,(H2,33,40)(H,37,38)(H,34,35,36)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 887n/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))
BDBM50377768
PNG
(CHEMBL402424)
Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)C2CC2)c1
Show InChI InChI=1S/C30H25Cl2N7O3S/c31-23-10-7-17(13-24(23)32)16-43(41,42)39-22-6-1-3-19(14-22)26-27(38-29(37-26)18-8-9-18)25-11-12-34-30(36-25)35-21-5-2-4-20(15-21)28(33)40/h1-7,10-15,18,39H,8-9,16H2,(H2,33,40)(H,37,38)(H,34,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 49n/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