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BDBM50292638 (+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperidine-1-carboxamide::(+/-)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperidine-1-carboxamide::(-)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperidine-1-carboxamide::CHEMBL497799

SMILES: Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1

InChI Key: InChIKey=WSPJCXDAFUSHQL-UHFFFAOYSA-N

Data: 7 IC50

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 7 hits for monomerid = 50292638   
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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50292638
PNG
((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M1 receptor


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292638
PNG
((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292638
PNG
((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.31E+3n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50292638
PNG
((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50292638
PNG
((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M1 receptor


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50292638
PNG
((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292638
PNG
((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair