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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
Chemical Structure
Monomer List in csv
Het List in SDF
Compound
FDA Drugs
Chemical Structure
Batch Structures
Name
SMILES
Number of Data
/
Targets
Data Source
Author
Institution
PubMed
PubChem BioAssay
Other Databases
PDB
85%
100%
Seq ID
UniProtKB/Swiss-Prot
UniProtKB/TrEMBL
PubMed
Download
All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
Virtual Screening
Forum
Enter Data
ITC
Enzyme Inhibition
Continue Deposition
Sent Comments
Compile Data Set for Download or QSAR
(2D
Computed 3D by
Vconf
-m prep
)
Data curated solely by
BindingDB
Found
12
hits Enz. Inhib. hit(s) with all data for this article
Target
(Institution)
Ligand
Target
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
pH
Temp
°C
Histamine H4 Receptor
Rattus norvegicus (rat)
JNJ 7777120
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
GoogleScholar
KEGG
UniProtKB/SwissProt
CHEBI
CSLS
PC cid
PC sid
PubMed
2.700
-48.90
n/a
n/a
n/a
7.4
25
Abbott Laboratories
J Med Chem.
51:
6571
-
80
(2008)
Histamine H4 Receptor
Homo sapiens (human)
JNJ 7777120
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
DrugBank
GoogleScholar
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
CHEBI
CSLS
PC cid
PC sid
PubMed
12.00
-45.21
n/a
n/a
n/a
7.4
25
Abbott Laboratories
J Med Chem.
51:
6571
-
80
(2008)
Histamine H4 Receptor
Homo sapiens (human)
2-Aminopyrimidine analog., 4
(4-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-y...)
DrugBank
GoogleScholar
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
PC cid
PC sid
PubMed
35.00
-42.55
n/a
n/a
n/a
7.4
25
Abbott Laboratories
J Med Chem.
51:
6571
-
80
(2008)
Histamine H4 Receptor
Homo sapiens (human)
2-Aminopyrimidine analog., 25
(4-[2-amino-6-(piperazin-1-yl)pyrimidin-4-yl]benzon...)
DrugBank
GoogleScholar
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
PC cid
PC sid
PubMed
42.00
-42.10
n/a
n/a
n/a
7.4
25
Abbott Laboratories
J Med Chem.
51:
6571
-
80
(2008)
Histamine H3 Receptor
Rattus norvegicus (rat)
2-Aminopyrimidine analog., 25
(4-[2-amino-6-(piperazin-1-yl)pyrimidin-4-yl]benzon...)
GoogleScholar
KEGG
UniProtKB/SwissProt
PC cid
PC sid
PubMed
120.0
-39.50
n/a
n/a
n/a
7.4
25
Abbott Laboratories
J Med Chem.
51:
6571
-
80
(2008)
Histamine H3 Receptor
Rattus norvegicus (rat)
2-Aminopyrimidine analog., 4
(4-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-y...)
GoogleScholar
KEGG
UniProtKB/SwissProt
PC cid
PC sid
PubMed
245.0
-37.73
n/a
n/a
n/a
7.4
25
Abbott Laboratories
J Med Chem.
51:
6571
-
80
(2008)
Histamine H4 Receptor
Rattus norvegicus (rat)
2-Aminopyrimidine analog., 4
(4-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-y...)
GoogleScholar
KEGG
UniProtKB/SwissProt
PC cid
PC sid
PubMed
275.0
-37.44
n/a
n/a
n/a
7.4
25
Abbott Laboratories
J Med Chem.
51:
6571
-
80
(2008)
Histamine H4 Receptor
Rattus norvegicus (rat)
2-Aminopyrimidine analog., 25
(4-[2-amino-6-(piperazin-1-yl)pyrimidin-4-yl]benzon...)
GoogleScholar
KEGG
UniProtKB/SwissProt
PC cid
PC sid
PubMed
339.0
-36.92
n/a
n/a
n/a
7.4
25
Abbott Laboratories
J Med Chem.
51:
6571
-
80
(2008)
Histamine H3 Receptor
Homo sapiens (human)
2-Aminopyrimidine analog., 25
(4-[2-amino-6-(piperazin-1-yl)pyrimidin-4-yl]benzon...)
DrugBank
GoogleScholar
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
PC cid
PC sid
PubMed
933.0
-34.41
n/a
n/a
n/a
7.4
25
Abbott Laboratories
J Med Chem.
51:
6571
-
80
(2008)
Histamine H3 Receptor
Homo sapiens (human)
2-Aminopyrimidine analog., 4
(4-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-y...)
DrugBank
GoogleScholar
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
PC cid
PC sid
PubMed
1288
-33.61
n/a
n/a
n/a
7.4
25
Abbott Laboratories
J Med Chem.
51:
6571
-
80
(2008)
Histamine H3 Receptor
Rattus norvegicus (rat)
JNJ 7777120
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
GoogleScholar
KEGG
UniProtKB/SwissProt
CHEBI
CSLS
PC cid
PC sid
PubMed
1318
-33.56
n/a
n/a
n/a
7.4
25
Abbott Laboratories
J Med Chem.
51:
6571
-
80
(2008)
Histamine H3 Receptor
Homo sapiens (human)
JNJ 7777120
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
DrugBank
GoogleScholar
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
CHEBI
CSLS
PC cid
PC sid
PubMed
2239
-32.24
n/a
n/a
n/a
7.4
25
Abbott Laboratories
J Med Chem.
51:
6571
-
80
(2008)
Reorder this table by
ec50
Reorder this table by
ic50
Reorder this table by
kd
Reorder this table by
pH
Reorder this table by
T
Change energy unit to:
kcal/mole