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SMILES: Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1

InChI Key: InChIKey=KIBLABCMQPRMIQ-UHFFFAOYSA-N

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 8 hits for monomerid = 50018553   
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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50018553
PNG
((+)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidine-...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)
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n/an/a 780n/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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50018553
PNG
((+)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidine-...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)
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n/an/a 780n/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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50018553
PNG
((+)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidine-...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)
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n/an/a 610n/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 M1/M2/M3/M4/M5


(RAT)
BDBM50018553
PNG
((+)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidine-...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)
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n/an/a 38n/an/an/an/an/an/a



Johns Hopkins Medical Institutions

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from rat brain homogenate


J Med Chem 32: 1057-62 (1989)


BindingDB Entry DOI: 10.7270/Q29S1T87
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50018553
PNG
((+)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidine-...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)
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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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50018553
PNG
((+)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidine-...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)
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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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50018553
PNG
((+)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidine-...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)
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n/an/a 330n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]ITAC from CXCR3 in PHA/IL-2 activated human PBMC pretreated 30 mins before [125I]ITAC challenge after 1 hr by liquid scintillat...


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))
BDBM50018553
PNG
((+)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidine-...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)
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n/an/a 9.60E+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