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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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/
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Ki
IC50
Kd
EC50
ΔG°
ΔH°
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Compile Data Set for Download or QSAR
Found
8
hits Enz. Inhib. hit(s) with all data for entry = 50012597
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))
BDBM50558661
(CHEMBL4763231)
Show SMILES
CC(C)(C)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1ccc(cc1)C(F)(F)F
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
PubMed
n/a
n/a
2.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human ERG by IonWorks patch clamp electrophysiology method
Citation and Details
BindingDB Entry DOI:
10.7270/Q2M61PZG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50558662
(CHEMBL4763365)
Show SMILES
CN1CCCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1ccc(cc1)C(F)(F)F
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
PubMed
n/a
n/a
5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human ERG by IonWorks patch clamp electrophysiology method
Citation and Details
BindingDB Entry DOI:
10.7270/Q2M61PZG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50558659
(CHEMBL4530341)
Show SMILES
NC1CCN(C1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1ccc(cc1)C(F)(F)F
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
PubMed
n/a
n/a
1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human ERG by IonWorks patch clamp electrophysiology method
Citation and Details
BindingDB Entry DOI:
10.7270/Q2M61PZG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50558663
(CHEMBL4798032)
Show SMILES
Nc1ncc(nc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCNCC1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
PubMed
n/a
n/a
1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human ERG by IonWorks patch clamp electrophysiology method
Citation and Details
BindingDB Entry DOI:
10.7270/Q2M61PZG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50558660
(CHEMBL4787608)
Show SMILES
Nc1ncc(nc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CC[C@@H](O)C1 |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
PubMed
n/a
n/a
>3.30E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human ERG by IonWorks patch clamp electrophysiology method
Citation and Details
BindingDB Entry DOI:
10.7270/Q2M61PZG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50558657
(CHEMBL4756181)
Show SMILES
Nc1ncc(nc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCC(O)CC1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
PubMed
n/a
n/a
>3.30E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human ERG by IonWorks patch clamp electrophysiology method
Citation and Details
BindingDB Entry DOI:
10.7270/Q2M61PZG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50558656
(CHEMBL4794183)
Show SMILES
Nc1ncc(nc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(O)=O
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
PubMed
n/a
n/a
>3.30E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human ERG by IonWorks patch clamp electrophysiology method
Citation and Details
BindingDB Entry DOI:
10.7270/Q2M61PZG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50558658
(CHEMBL4761413)
Show SMILES
Nc1ncc(nc1-c1ccc(nc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCC(O)CC1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
PubMed
n/a
n/a
>3.30E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human ERG by IonWorks patch clamp electrophysiology method
Citation and Details
BindingDB Entry DOI:
10.7270/Q2M61PZG
More data for this
Ligand-Target Pair
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