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BDBM50352152 CHEMBL1824785

SMILES: Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1

InChI Key: InChIKey=HTDIUQCBNGOYTP-UHFFFAOYSA-N

Data: 8 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50352152   
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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
BindingDB Entry DOI: 10.7270/Q2S46SCV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
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PC cid
PC sid
UniChem

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Article
PubMed
1.36E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of M4 muscarinic receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
BindingDB Entry DOI: 10.7270/Q2S46SCV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.54E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of M2 muscarinic receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
BindingDB Entry DOI: 10.7270/Q2S46SCV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
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PC cid
PC sid
UniChem

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Article
PubMed
5.48E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of M5 muscarinic receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
BindingDB Entry DOI: 10.7270/Q2S46SCV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
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PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of NET transporter by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
BindingDB Entry DOI: 10.7270/Q2S46SCV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of alpha-1A adrenergic receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
BindingDB Entry DOI: 10.7270/Q2S46SCV
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
Reactome pathway
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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of H1 receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
BindingDB Entry DOI: 10.7270/Q2S46SCV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of D1 dopamine receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
BindingDB Entry DOI: 10.7270/Q2S46SCV
More data for this
Ligand-Target Pair