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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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null
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(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
47
hits for monomerid = 50601567
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))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
5
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(1A) dopamine receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
KEGG
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
1.38E+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
D(3) dopamine receptor
(Homo sapiens)
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
KEGG
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
2.63E+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))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
5.37E+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
D(2) dopamine receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
6.31E+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))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
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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))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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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))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(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
3.30
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
(Cavia porcellus (domestic guinea pig))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
2.20
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
(Cavia porcellus (domestic guinea pig))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.30
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))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(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
<1.00E+4
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)
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(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
1.20E+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(1A) dopamine receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.230
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(4) dopamine receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(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
0.0780
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(4) dopamine receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(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
676
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(1B) dopamine receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.240
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(1B) dopamine receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.12E+4
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
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(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
0.120
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
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(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
<1.00E+4
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
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.170
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
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
<1.00E+4
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
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.100
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
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
<1.00E+4
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
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(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
0.0520
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
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(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
<3.16E+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
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.200
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
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
<1.00E+4
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
Alpha-1A adrenergic receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
Reactome pathway
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n/a
n/a
n/a
n/a
851
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
Alpha-1A adrenergic receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
Reactome pathway
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UniChem
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n/a
n/a
n/a
0.25
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
Alpha-2A adrenergic receptor
(Homo sapiens)
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
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UniChem
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n/a
n/a
n/a
n/a
1.26E+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
Alpha-2A adrenergic receptor
(Homo sapiens)
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
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UniChem
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n/a
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n/a
0.600
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
Beta-1 adrenergic receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
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UniChem
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n/a
n/a
n/a
n/a
<1.00E+5
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
Beta-1 adrenergic receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
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UniChem
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n/a
n/a
n/a
0.0750
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
Beta-2 adrenergic receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
3.98E+4
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
Beta-2 adrenergic receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.0700
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
Mu-type opioid receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
3.98E+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
Mu-type opioid receptor
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
NCI pathway
Reactome pathway
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PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.0900
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
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
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PC sid
UniChem
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n/a
n/a
n/a
n/a
2.75E+4
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
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.0800
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))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
138
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)
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
KEGG
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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))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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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))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(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))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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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))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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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))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(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))
BDBM50601567
(CHEMBL5206565)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(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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