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PubMed code 26852623

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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MCE
PC cid
PC sid
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Similars

DrugBank
PDB
Article
PubMed
n/an/a 31n/an/an/an/an/an/a



NIH Special Volunteer

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged BRAF V600E mutant (448 to 723 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed a...


J Nat Prod 79: 629-61 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01055
BindingDB Entry DOI: 10.7270/Q2W37Z73
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50172099
PNG
(CHEMBL1231605)
Show SMILES N(c1c[nH]c2ncccc12)c1ccccc1
Show InChI InChI=1S/C13H11N3/c1-2-5-10(6-3-1)16-12-9-15-13-11(12)7-4-8-14-13/h1-9,16H,(H,14,15)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



NIH Special Volunteer

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged BRAF V600E mutant (448 to 723 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed a...


J Nat Prod 79: 629-61 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01055
BindingDB Entry DOI: 10.7270/Q2W37Z73
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%