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2 similar compounds to monomer 50038707

Compile data set for download or QSAR
Wt: 334.4
BDBM50010097
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Wt: 436.5
BDBM50038717

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50010097,50038717   
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


(Homo sapiens (Human))
BDBM50038717
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 3-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C26H32N2O4/c29-25(26(15-4-5-16-26)23-9-11-24(12-10-23)28(30)31)32-20-6-17-27-18-13-22(14-19-27)21-7-2-1-3-8-21/h1-3,7-12,22H,4-6,13-20H2
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PC cid
PC sid
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Article
PubMed
0.270n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain


J Med Chem 37: 1964-70 (1994)


Article DOI: 10.1021/jm00039a008
BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50010097
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-d...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H26N2O4/c1-3-19(4-2)13-14-24-17(21)18(11-5-6-12-18)15-7-9-16(10-8-15)20(22)23/h7-10H,3-6,11-14H2,1-2H3
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UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
5.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


J Med Chem 34: 2984-9 (1991)


Article DOI: 10.1021/jm00114a005
BindingDB Entry DOI: 10.7270/Q27H1K5M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50010097
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-d...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H26N2O4/c1-3-19(4-2)13-14-24-17(21)18(11-5-6-12-18)15-7-9-16(10-8-15)20(22)23/h7-10H,3-6,11-14H2,1-2H3
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
390n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


J Med Chem 34: 2984-9 (1991)


Article DOI: 10.1021/jm00114a005
BindingDB Entry DOI: 10.7270/Q27H1K5M
More data for this
Ligand-Target Pair