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BDBM50102243 1-[3-(2,5-Dioxo-3,3-di-p-tolyl-pyrrolidin-1-yl)-propyl]-4-o-tolyl-piperidine-4-carbonitrile::CHEMBL299914

SMILES: Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1

InChI Key: InChIKey=SQCNBRHPDWAEHY-UHFFFAOYSA-N

Data: 3 KI

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 = 50102243   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50102243
PNG
(1-[3-(2,5-Dioxo-3,3-di-p-tolyl-pyrrolidin-1-yl)-pr...)
Show SMILES Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C34H37N3O2/c1-25-9-13-28(14-10-25)34(29-15-11-26(2)12-16-29)23-31(38)37(32(34)39)20-6-19-36-21-17-33(24-35,18-22-36)30-8-5-4-7-27(30)3/h4-5,7-16H,6,17-23H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.70n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50102243
PNG
(1-[3-(2,5-Dioxo-3,3-di-p-tolyl-pyrrolidin-1-yl)-pr...)
Show SMILES Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C34H37N3O2/c1-25-9-13-28(14-10-25)34(29-15-11-26(2)12-16-29)23-31(38)37(32(34)39)20-6-19-36-21-17-33(24-35,18-22-36)30-8-5-4-7-27(30)3/h4-5,7-16H,6,17-23H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50102243
PNG
(1-[3-(2,5-Dioxo-3,3-di-p-tolyl-pyrrolidin-1-yl)-pr...)
Show SMILES Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C34H37N3O2/c1-25-9-13-28(14-10-25)34(29-15-11-26(2)12-16-29)23-31(38)37(32(34)39)20-6-19-36-21-17-33(24-35,18-22-36)30-8-5-4-7-27(30)3/h4-5,7-16H,6,17-23H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.90E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair