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SMILES: Cn1c2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O

InChI Key: InChIKey=GKJTUMVXJVVWIO-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50481997   
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))
BDBM50481997
PNG
(CHEMBL1090976)
Show SMILES Cn1c2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O
Show InChI InChI=1S/C31H28FN7O3/c1-31(2,3)25-17-26(39(37-25)19-11-9-18(32)10-12-19)35-29(40)34-22-13-14-23(21-8-6-5-7-20(21)22)42-24-15-16-33-28-27(24)38(4)30(41)36-28/h5-17H,1-4H3,(H,33,36,41)(H2,34,35,40)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 313n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human BRAF V600E mutant expressed in baculovirus system


J Med Chem 53: 2741-56 (2010)


Article DOI: 10.1021/jm900607f
BindingDB Entry DOI: 10.7270/Q2WD43CH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50481997
PNG
(CHEMBL1090976)
Show SMILES Cn1c2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O
Show InChI InChI=1S/C31H28FN7O3/c1-31(2,3)25-17-26(39(37-25)19-11-9-18(32)10-12-19)35-29(40)34-22-13-14-23(21-8-6-5-7-20(21)22)42-24-15-16-33-28-27(24)38(4)30(41)36-28/h5-17H,1-4H3,(H,33,36,41)(H2,34,35,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant ERK phosphorylation in human WM266.4 cells


J Med Chem 53: 2741-56 (2010)


Article DOI: 10.1021/jm900607f
BindingDB Entry DOI: 10.7270/Q2WD43CH
More data for this
Ligand-Target Pair