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BDBM50388668 CHEMBL2059311

SMILES: O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O

InChI Key: InChIKey=VPQWKDKXRKHUGC-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 EC50

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 3 hits for monomerid = 50388668   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50388668
PNG
(CHEMBL2059311)
Show SMILES O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H26N4O3/c28-22-16-30-21-9-4-3-8-20(21)26(22)13-5-12-25-14-10-17(11-15-25)27-19-7-2-1-6-18(19)24-23(27)29/h1-4,6-9,17H,5,10-16H2,(H,24,29)
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PC sid
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Article
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16n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5134-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.048
BindingDB Entry DOI: 10.7270/Q24M95MM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50388668
PNG
(CHEMBL2059311)
Show SMILES O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H26N4O3/c28-22-16-30-21-9-4-3-8-20(21)26(22)13-5-12-25-14-10-17(11-15-25)27-19-7-2-1-6-18(19)24-23(27)29/h1-4,6-9,17H,5,10-16H2,(H,24,29)
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 73n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human M1 receptor expressed in CHO-K1 cells assessed as calcium mobilization for 6 mins by Calcium4-based staining


Bioorg Med Chem Lett 22: 5134-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.048
BindingDB Entry DOI: 10.7270/Q24M95MM
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50388668
PNG
(CHEMBL2059311)
Show SMILES O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H26N4O3/c28-22-16-30-21-9-4-3-8-20(21)26(22)13-5-12-25-14-10-17(11-15-25)27-19-7-2-1-6-18(19)24-23(27)29/h1-4,6-9,17H,5,10-16H2,(H,24,29)
PDB
MMDB

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n/an/a 6.60E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells after 30 mins by Rb+ flux assay


Bioorg Med Chem Lett 22: 5134-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.048
BindingDB Entry DOI: 10.7270/Q24M95MM
More data for this
Ligand-Target Pair