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BDBM50452055 CHEMBL56045

SMILES: Clc1ccc(cn1)C1CC2CCC1N2CCCCCCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1

InChI Key: InChIKey=UHAHXGLMAJNEAR-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 = 50452055   
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))
BDBM50452055
PNG
(CHEMBL56045)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCCCCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,31:29:24:27.26,THB:23:24:29.30:27.26,4:7:13:11.10|
Show InChI InChI=1S/C32H44Cl2N4/c33-31-15-9-23(21-35-31)27-19-25-11-13-29(27)37(25)17-7-5-3-1-2-4-6-8-18-38-26-12-14-30(38)28(20-26)24-10-16-32(34)36-22-24/h9-10,15-16,21-22,25-30H,1-8,11-14,17-20H2
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7.5n/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-2 subunit


(Rattus norvegicus (Rat))
BDBM50452055
PNG
(CHEMBL56045)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCCCCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,31:29:24:27.26,THB:23:24:29.30:27.26,4:7:13:11.10|
Show InChI InChI=1S/C32H44Cl2N4/c33-31-15-9-23(21-35-31)27-19-25-11-13-29(27)37(25)17-7-5-3-1-2-4-6-8-18-38-26-12-14-30(38)28(20-26)24-10-16-32(34)36-22-24/h9-10,15-16,21-22,25-30H,1-8,11-14,17-20H2
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13n/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-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50452055
PNG
(CHEMBL56045)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCCCCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,31:29:24:27.26,THB:23:24:29.30:27.26,4:7:13:11.10|
Show InChI InChI=1S/C32H44Cl2N4/c33-31-15-9-23(21-35-31)27-19-25-11-13-29(27)37(25)17-7-5-3-1-2-4-6-8-18-38-26-12-14-30(38)28(20-26)24-10-16-32(34)36-22-24/h9-10,15-16,21-22,25-30H,1-8,11-14,17-20H2
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22n/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-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50452055
PNG
(CHEMBL56045)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCCCCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,31:29:24:27.26,THB:23:24:29.30:27.26,4:7:13:11.10|
Show InChI InChI=1S/C32H44Cl2N4/c33-31-15-9-23(21-35-31)27-19-25-11-13-29(27)37(25)17-7-5-3-1-2-4-6-8-18-38-26-12-14-30(38)28(20-26)24-10-16-32(34)36-22-24/h9-10,15-16,21-22,25-30H,1-8,11-14,17-20H2
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61n/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-2/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50452055
PNG
(CHEMBL56045)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCCCCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,31:29:24:27.26,THB:23:24:29.30:27.26,4:7:13:11.10|
Show InChI InChI=1S/C32H44Cl2N4/c33-31-15-9-23(21-35-31)27-19-25-11-13-29(27)37(25)17-7-5-3-1-2-4-6-8-18-38-26-12-14-30(38)28(20-26)24-10-16-32(34)36-22-24/h9-10,15-16,21-22,25-30H,1-8,11-14,17-20H2
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72n/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))
BDBM50452055
PNG
(CHEMBL56045)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCCCCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,31:29:24:27.26,THB:23:24:29.30:27.26,4:7:13:11.10|
Show InChI InChI=1S/C32H44Cl2N4/c33-31-15-9-23(21-35-31)27-19-25-11-13-29(27)37(25)17-7-5-3-1-2-4-6-8-18-38-26-12-14-30(38)28(20-26)24-10-16-32(34)36-22-24/h9-10,15-16,21-22,25-30H,1-8,11-14,17-20H2
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UniChem
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138n/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-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