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Target
Sequence
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Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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IC50
Kd
EC50
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PubMed code
25677662
Compile data set for download or QSAR
Found
3
hits of Enzyme Inhibition Constant Data
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50103452
(CHEMBL3398269)
Show SMILES
CC(C)N1Cc2cc(ccc2C1=O)-c1onc(c1C)-c1ccc(F)cc1F
Show InChI
InChI=1S/C21H18F2N2O2/c1-11(2)25-10-14-8-13(4-6-16(14)21(25)26)20-12(3)19(24-27-20)17-7-5-15(22)9-18(17)23/h4-9,11H,10H2,1-3H3
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.06E+3
n/a
n/a
n/a
n/a
n/a
n/a
Yonsei University
Curated by
ChEMBL
Assay Description
Inhibition of human ERG
Bioorg Med Chem Lett
25:
1324
-
8
(2015)
Article DOI:
10.1016/j.bmcl.2015.01.035
BindingDB Entry DOI:
10.7270/Q2G73GH1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50103454
(CHEMBL3398280)
Show SMILES
COc1ccc(cn1)-c1cc(on1)-c1ccc2C(=O)N(Cc2c1)C(C)C
Show InChI
InChI=1S/C20H19N3O3/c1-12(2)23-11-15-8-13(4-6-16(15)20(23)24)18-9-17(22-26-18)14-5-7-19(25-3)21-10-14/h4-10,12H,11H2,1-3H3
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
1.20E+4
n/a
n/a
n/a
n/a
n/a
n/a
Yonsei University
Curated by
ChEMBL
Assay Description
Inhibition of human ERG
Bioorg Med Chem Lett
25:
1324
-
8
(2015)
Article DOI:
10.1016/j.bmcl.2015.01.035
BindingDB Entry DOI:
10.7270/Q2G73GH1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50103453
(CHEMBL3398278)
Show SMILES
CC(C)N1Cc2cc(ccc2C1=O)-c1cc(no1)-c1ccc(Cl)nc1
Show InChI
InChI=1S/C19H16ClN3O2/c1-11(2)23-10-14-7-12(3-5-15(14)19(23)24)17-8-16(22-25-17)13-4-6-18(20)21-9-13/h3-9,11H,10H2,1-2H3
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
4.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
Yonsei University
Curated by
ChEMBL
Assay Description
Inhibition of human ERG
Bioorg Med Chem Lett
25:
1324
-
8
(2015)
Article DOI:
10.1016/j.bmcl.2015.01.035
BindingDB Entry DOI:
10.7270/Q2G73GH1
More data for this
Ligand-Target Pair
*
indicates data uncertainty>20%
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