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BDBM50388683 CHEMBL2059322

SMILES: Fc1ccc2[nH]c(=O)n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c2c1

InChI Key: InChIKey=BNPRQOXQGKPVTK-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 = 50388683   
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))
BDBM50388683
PNG
(CHEMBL2059322)
Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C23H25FN4O3/c24-16-6-7-18-20(14-16)28(23(30)25-18)17-8-12-26(13-9-17)10-3-11-27-19-4-1-2-5-21(19)31-15-22(27)29/h1-2,4-7,14,17H,3,8-13,15H2,(H,25,30)
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PC sid
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14n/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))
BDBM50388683
PNG
(CHEMBL2059322)
Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C23H25FN4O3/c24-16-6-7-18-20(14-16)28(23(30)25-18)17-8-12-26(13-9-17)10-3-11-27-19-4-1-2-5-21(19)31-15-22(27)29/h1-2,4-7,14,17H,3,8-13,15H2,(H,25,30)
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 44n/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))
BDBM50388683
PNG
(CHEMBL2059322)
Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C23H25FN4O3/c24-16-6-7-18-20(14-16)28(23(30)25-18)17-8-12-26(13-9-17)10-3-11-27-19-4-1-2-5-21(19)31-15-22(27)29/h1-2,4-7,14,17H,3,8-13,15H2,(H,25,30)
PDB
MMDB

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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