BindingDB logo
myBDB logout

BDBM50388673 CHEMBL2059305

SMILES: O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccc2[nH]ccc2c1

InChI Key: InChIKey=QJMDUKSLBFAKOC-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 = 50388673   
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))
BDBM50388673
PNG
(CHEMBL2059305)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C25H29N3O/c29-25-9-7-20-4-1-2-5-24(20)28(25)15-3-14-27-16-11-19(12-17-27)21-6-8-23-22(18-21)10-13-26-23/h1-2,4-6,8,10,13,18-19,26H,3,7,9,11-12,14-17H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
42n/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))
BDBM50388673
PNG
(CHEMBL2059305)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C25H29N3O/c29-25-9-7-20-4-1-2-5-24(20)28(25)15-3-14-27-16-11-19(12-17-27)21-6-8-23-22(18-21)10-13-26-23/h1-2,4-6,8,10,13,18-19,26H,3,7,9,11-12,14-17H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 160n/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))
BDBM50388673
PNG
(CHEMBL2059305)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C25H29N3O/c29-25-9-7-20-4-1-2-5-24(20)28(25)15-3-14-27-16-11-19(12-17-27)21-6-8-23-22(18-21)10-13-26-23/h1-2,4-6,8,10,13,18-19,26H,3,7,9,11-12,14-17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+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