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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
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Ki
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null
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
InChI Key:
Find this compound or compounds like it in BindingDB or PDB:
Substructure
Similarity at least:
must be >=0.5
Exact match
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found
17
hits for monomerid = 50601568
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Histamine H2 receptor
(Homo sapiens (Human))
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
27
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
D(3) dopamine receptor
(Homo sapiens)
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
74
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
D(2) dopamine receptor
(Homo sapiens (Human))
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
4.57E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
5.62E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H4 receptor
(Homo sapiens (Human))
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
<1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor
(Homo sapiens (Human))
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
<1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H2 receptor
(Homo sapiens (Human))
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
49
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H2 receptor
(Homo sapiens (Human))
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
4.90
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
D(2) dopamine receptor
(Homo sapiens (Human))
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
3.39E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
D(3) dopamine receptor
(Homo sapiens)
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
68
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
D(3) dopamine receptor
(Homo sapiens)
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.0258
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
D(2) dopamine receptor
(Homo sapiens (Human))
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.0149
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
D(2) dopamine receptor
(Homo sapiens (Human))
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.0149
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H4 receptor
(Homo sapiens (Human))
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
16
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor
(Homo sapiens (Human))
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
3
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
4.5
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H2 receptor
(Homo sapiens (Human))
BDBM50601568
(CHEMBL5178472)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
12
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
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