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SMILES: CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1

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 10 hits for monomerid = 50568741   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50568741
PNG
(CHEMBL4875600)
Show SMILES CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1
PDB

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PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-DE257 from human histamine H2 receptor expressed in sf9 insect cell membranes co-expressing GSalphaS incubated for 60 mins by ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50568741
PNG
(CHEMBL4875600)
Show SMILES CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293T cells co-expressing CRE-Luc incubated for 60 mins by microbeta scin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50568741
PNG
(CHEMBL4875600)
Show SMILES CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1
PDB

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PC sid
UniChem
Article
PubMed
316n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293T cells co-expressing CRE-Luc incubated for 60 mins by microbeta sci...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50568741
PNG
(CHEMBL4875600)
Show SMILES CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1
PDB

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UniChem
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PubMed
7.76E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in sf9 insect cell membranes co-expressing RGS4 incubated for 60 mins by mi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50568741
PNG
(CHEMBL4875600)
Show SMILES CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1
PDB

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PC sid
UniChem
Article
PubMed
1.32E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in sf9 insect cell membranes co-expressing Galphai2/Gbeta1gamma2 incubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50568741
PNG
(CHEMBL4875600)
Show SMILES CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1
PDB

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UniChem
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3.89E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-P129 from human histamine H3 receptor expressed in sf9 insect cell membranes co-expressing Galphai2/Gbeta1gamma2 incubated for...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50568741
PNG
(CHEMBL4875600)
Show SMILES CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 589n/an/an/an/a


TBA

Assay Description
Agonist activity at human histamine D2L receptor receptor expressed in HEK293T cells co-expressing ELucC by beta arrestin2 recruitment assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50568741
PNG
(CHEMBL4875600)
Show SMILES CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 65n/an/an/an/a


TBA

Assay Description
Agonist activity at human histamine H2 receptor expressed in HEK293T cells co-expressing ELucC by beta arrestin2 recruitment assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50568741
PNG
(CHEMBL4875600)
Show SMILES CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 72n/an/an/an/a


TBA

Assay Description
Agonist activity at human histamine D3 receptor receptor expressed in HEK293T cells co-expressing ELucC by beta arrestin2 recruitment assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50568741
PNG
(CHEMBL4875600)
Show SMILES CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 26n/an/an/an/a


TBA

Assay Description
Agonist activity at guinea pig right atrium histamine H2 receptor assessed as increase in heart rate incubated for 30 mins in presence of cimetidine


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245
More data for this
Ligand-Target Pair