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PubMed code 27496071

Compile data set for download or QSAR
Found 4 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
C-RAF


(Homo sapiens (human))
BDBM206291
PNG
(4-((2-((3-(Tert-butyl)phenyl)amino)quinolin-5-yl)o...)
Show SMILES CNC(=O)c1cc(Oc2cccc3nc(Nc4cccc(c4)C(C)(C)C)ccc23)ccn1
Show InChI InChI=1S/C26H26N4O2/c1-26(2,3)17-7-5-8-18(15-17)29-24-12-11-20-21(30-24)9-6-10-23(20)32-19-13-14-28-22(16-19)25(31)27-4/h5-16H,1-4H3,(H,27,31)(H,29,30)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.26E+4n/an/an/an/a7.525



Korea Institute of Science and Technology



Assay Description
Reaction Biology Corporation Kinase HotSpotSM service: In a final reactionvolume of 25 μL, kinase (5-10 mU) is incubated with 25 mM Tris pH 7.5,...


Chem Biol Drug Des 89: 98-113 (2017)


Article DOI: 10.1111/cbdd.12836
BindingDB Entry DOI: 10.7270/Q2NZ86GZ
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM206292
PNG
(4-((2-((4-Chloro-3-(trifluoromethyl)phenyl)amino)q...)
Show SMILES CNC(=O)c1cc(Oc2cccc3nc(Nc4ccc(Cl)c(c4)C(F)(F)F)ccc23)ccn1
Show InChI InChI=1S/C23H16ClF3N4O2/c1-28-22(32)19-12-14(9-10-29-19)33-20-4-2-3-18-15(20)6-8-21(31-18)30-13-5-7-17(24)16(11-13)23(25,26)27/h2-12H,1H3,(H,28,32)(H,30,31)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.525



Korea Institute of Science and Technology



Assay Description
Reaction Biology Corporation Kinase HotSpotSM service: In a final reactionvolume of 25 μL, kinase (5-10 mU) is incubated with 25 mM Tris pH 7.5,...


Chem Biol Drug Des 89: 98-113 (2017)


Article DOI: 10.1111/cbdd.12836
BindingDB Entry DOI: 10.7270/Q2NZ86GZ
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM206291
PNG
(4-((2-((3-(Tert-butyl)phenyl)amino)quinolin-5-yl)o...)
Show SMILES CNC(=O)c1cc(Oc2cccc3nc(Nc4cccc(c4)C(C)(C)C)ccc23)ccn1
Show InChI InChI=1S/C26H26N4O2/c1-26(2,3)17-7-5-8-18(15-17)29-24-12-11-20-21(30-24)9-6-10-23(20)32-19-13-14-28-22(16-19)25(31)27-4/h5-16H,1-4H3,(H,27,31)(H,29,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.525



Korea Institute of Science and Technology



Assay Description
Reaction Biology Corporation Kinase HotSpotSM service: In a final reactionvolume of 25 μL, kinase (5-10 mU) is incubated with 25 mM Tris pH 7.5,...


Chem Biol Drug Des 89: 98-113 (2017)


Article DOI: 10.1111/cbdd.12836
BindingDB Entry DOI: 10.7270/Q2NZ86GZ
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM206292
PNG
(4-((2-((4-Chloro-3-(trifluoromethyl)phenyl)amino)q...)
Show SMILES CNC(=O)c1cc(Oc2cccc3nc(Nc4ccc(Cl)c(c4)C(F)(F)F)ccc23)ccn1
Show InChI InChI=1S/C23H16ClF3N4O2/c1-28-22(32)19-12-14(9-10-29-19)33-20-4-2-3-18-15(20)6-8-21(31-18)30-13-5-7-17(24)16(11-13)23(25,26)27/h2-12H,1H3,(H,28,32)(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.525



Korea Institute of Science and Technology



Assay Description
Reaction Biology Corporation Kinase HotSpotSM service: In a final reactionvolume of 25 μL, kinase (5-10 mU) is incubated with 25 mM Tris pH 7.5,...


Chem Biol Drug Des 89: 98-113 (2017)


Article DOI: 10.1111/cbdd.12836
BindingDB Entry DOI: 10.7270/Q2NZ86GZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%