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BDBM50452054 CHEMBL53620

SMILES: Clc1ccc(cn1)C1CC2CCC1N2CCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1

InChI Key: InChIKey=PYBMKRHZPPJSPO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50452054   
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
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50452054
PNG
(CHEMBL53620)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,27:25:20:23.22,THB:19:20:25.26:23.22,4:7:13:11.10|
Show InChI InChI=1S/C28H36Cl2N4/c29-27-11-5-19(17-31-27)23-15-21-7-9-25(23)33(21)13-3-1-2-4-14-34-22-8-10-26(34)24(16-22)20-6-12-28(30)32-18-20/h5-6,11-12,17-18,21-26H,1-4,7-10,13-16H2
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3.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine


Bioorg Med Chem Lett 14: 1855-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.071
BindingDB Entry DOI: 10.7270/Q269753N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50452054
PNG
(CHEMBL53620)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,27:25:20:23.22,THB:19:20:25.26:23.22,4:7:13:11.10|
Show InChI InChI=1S/C28H36Cl2N4/c29-27-11-5-19(17-31-27)23-15-21-7-9-25(23)33(21)13-3-1-2-4-14-34-22-8-10-26(34)24(16-22)20-6-12-28(30)32-18-20/h5-6,11-12,17-18,21-26H,1-4,7-10,13-16H2
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6.20n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha3-beta4 using [3H]epibatidine


Bioorg Med Chem Lett 14: 1855-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.071
BindingDB Entry DOI: 10.7270/Q269753N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50452054
PNG
(CHEMBL53620)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,27:25:20:23.22,THB:19:20:25.26:23.22,4:7:13:11.10|
Show InChI InChI=1S/C28H36Cl2N4/c29-27-11-5-19(17-31-27)23-15-21-7-9-25(23)33(21)13-3-1-2-4-14-34-22-8-10-26(34)24(16-22)20-6-12-28(30)32-18-20/h5-6,11-12,17-18,21-26H,1-4,7-10,13-16H2
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9.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta4 using [3H]epibatidine


Bioorg Med Chem Lett 14: 1855-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.071
BindingDB Entry DOI: 10.7270/Q269753N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50452054
PNG
(CHEMBL53620)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,27:25:20:23.22,THB:19:20:25.26:23.22,4:7:13:11.10|
Show InChI InChI=1S/C28H36Cl2N4/c29-27-11-5-19(17-31-27)23-15-21-7-9-25(23)33(21)13-3-1-2-4-14-34-22-8-10-26(34)24(16-22)20-6-12-28(30)32-18-20/h5-6,11-12,17-18,21-26H,1-4,7-10,13-16H2
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40n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine


Bioorg Med Chem Lett 14: 1855-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.071
BindingDB Entry DOI: 10.7270/Q269753N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50452054
PNG
(CHEMBL53620)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,27:25:20:23.22,THB:19:20:25.26:23.22,4:7:13:11.10|
Show InChI InChI=1S/C28H36Cl2N4/c29-27-11-5-19(17-31-27)23-15-21-7-9-25(23)33(21)13-3-1-2-4-14-34-22-8-10-26(34)24(16-22)20-6-12-28(30)32-18-20/h5-6,11-12,17-18,21-26H,1-4,7-10,13-16H2
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48n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha3-beta2 using [3H]epibatidine


Bioorg Med Chem Lett 14: 1855-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.071
BindingDB Entry DOI: 10.7270/Q269753N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50452054
PNG
(CHEMBL53620)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,27:25:20:23.22,THB:19:20:25.26:23.22,4:7:13:11.10|
Show InChI InChI=1S/C28H36Cl2N4/c29-27-11-5-19(17-31-27)23-15-21-7-9-25(23)33(21)13-3-1-2-4-14-34-22-8-10-26(34)24(16-22)20-6-12-28(30)32-18-20/h5-6,11-12,17-18,21-26H,1-4,7-10,13-16H2
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UniChem
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82n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards nicotinic acetylcholine receptor alpha2-beta2 using [3H]epibatidine


Bioorg Med Chem Lett 14: 1855-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.071
BindingDB Entry DOI: 10.7270/Q269753N
More data for this
Ligand-Target Pair