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Compile Data Set for Download or QSAR

Found 393 hits with Last Name = 'cai' and Initial = 'f'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450717
PNG
(CHEMBL317087)
Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1Br
Show InChI InChI=1S/C9H10BrClN2O/c10-8-3-7(4-13-9(8)11)14-5-6-1-2-12-6/h3-4,6,12H,1-2,5H2/t6-/m0/s1
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 0.0150n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450726
PNG
(CHEMBL407258)
Show SMILES Brc1ccc(OC[C@@H]2CCN2)cn1
Show InChI InChI=1S/C9H11BrN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m0/s1
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 0.0210n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450734
PNG
(CHEMBL318869)
Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1-c1ccccc1
Show InChI InChI=1S/C15H15ClN2O/c16-15-14(11-4-2-1-3-5-11)8-13(9-18-15)19-10-12-6-7-17-12/h1-5,8-9,12,17H,6-7,10H2/t12-/m0/s1
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 0.0220n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450710
PNG
(CHEMBL97555)
Show SMILES Clc1cc(OC[C@@H]2CCN2)cnc1Cl
Show InChI InChI=1S/C9H10Cl2N2O/c10-8-3-7(4-13-9(8)11)14-5-6-1-2-12-6/h3-4,6,12H,1-2,5H2/t6-/m0/s1
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 0.0230n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450720
PNG
(CHEMBL94683)
Show SMILES N#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C10H11N3O/c11-4-8-3-10(6-12-5-8)14-7-9-1-2-13-9/h3,5-6,9,13H,1-2,7H2/t9-/m0/s1
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 0.0250n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450713
PNG
(CHEMBL96837)
Show SMILES CCCc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C12H18N2O/c1-2-3-10-6-12(8-13-7-10)15-9-11-4-5-14-11/h6-8,11,14H,2-5,9H2,1H3/t11-/m0/s1
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 0.0390n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450712
PNG
(CHEMBL96604)
Show SMILES CCOc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C11H16N2O2/c1-2-14-10-5-11(7-12-6-10)15-8-9-3-4-13-9/h5-7,9,13H,2-4,8H2,1H3/t9-/m0/s1
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 0.0390n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50062639
PNG
(5-((S)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...)
Show SMILES Clc1ccc(OC[C@@H]2CCN2)cn1
Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m0/s1
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 0.0400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50062641
PNG
(5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...)
Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r|
Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1
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 0.0400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450723
PNG
(CHEMBL95113)
Show SMILES Clc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11ClN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
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 0.0420n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50072110
PNG
(3-((S)-1-Azetidin-2-ylmethoxy)-5-phenyl-pyridine |...)
Show SMILES C(Oc1cncc(c1)-c1ccccc1)[C@@H]1CCN1
Show InChI InChI=1S/C15H16N2O/c1-2-4-12(5-3-1)13-8-15(10-16-9-13)18-11-14-6-7-17-14/h1-5,8-10,14,17H,6-7,11H2/t14-/m0/s1
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 0.0460n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450728
PNG
(CHEMBL96431)
Show SMILES Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C10H14N2O/c1-8-4-10(6-11-5-8)13-7-9-2-3-12-9/h4-6,9,12H,2-3,7H2,1H3/t9-/m0/s1
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 0.0470n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50066788
PNG
((S)-3-(azetidin-2-ylmethoxy)-2-fluoropyridine | 3-...)
Show SMILES Fc1ncccc1OC[C@@H]1CCN1
Show InChI InChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1
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 0.0480n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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 0.0520n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450718
PNG
(CHEMBL94670)
Show SMILES Cc1ccc(OC[C@H]2CCN2)cn1
Show InChI InChI=1S/C10H14N2O/c1-8-2-3-10(6-12-8)13-7-9-4-5-11-9/h2-3,6,9,11H,4-5,7H2,1H3/t9-/m1/s1
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 0.0530n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450729
PNG
(CHEMBL94877)
Show SMILES Cc1ccc(OC[C@@H]2CCN2)cn1
Show InChI InChI=1S/C10H14N2O/c1-8-2-3-10(6-12-8)13-7-9-4-5-11-9/h2-3,6,9,11H,4-5,7H2,1H3/t9-/m0/s1
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 0.0570n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450719
PNG
(CHEMBL318121)
Show SMILES Fc1ccc(OC[C@@H]2CCN2)cn1
Show InChI InChI=1S/C9H11FN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450748
PNG
(CHEMBL446410)
Show SMILES Fc1ccc(OC[C@H]2CCN2)cn1
Show InChI InChI=1S/C9H11FN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1
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 0.0660n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450743
PNG
(CHEMBL96527)
Show SMILES Fc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11FN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
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 0.0760n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450738
PNG
(CHEMBL94207)
Show SMILES Nc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H13N3O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6,10H2/t8-/m0/s1
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 0.0820n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450724
PNG
(CHEMBL95128)
Show SMILES Oc1cncc(OC[C@H]2CCN2)c1
Show InChI InChI=1S/C9H12N2O2/c12-8-3-9(5-10-4-8)13-6-7-1-2-11-7/h3-5,7,11-12H,1-2,6H2/t7-/m1/s1
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 0.0880n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM82552
PNG
(CAS_111555-58-9 | NTB | naltrindolebenzofuran)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O |r|
Show InChI InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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 0.100n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450715
PNG
(CHEMBL96370)
Show SMILES CCc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C11H16N2O/c1-2-9-5-11(7-12-6-9)14-8-10-3-4-13-10/h5-7,10,13H,2-4,8H2,1H3/t10-/m0/s1
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 0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM86667
PNG
(HS464)
Show SMILES CCO[C@]12Cc3c(nc4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |r,TLB:22:21:18.19.17:3,16:17:3:21.26.27,THB:2:3:18.19.17:21.26.27|
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 0.110n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM86661
PNG
(HS510A)
Show SMILES CCO[C@]12Cc3c(oc4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |r,TLB:22:21:18.19.17:3,16:17:3:21.26.27,THB:2:3:18.19.17:21.26.27|
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22?,26?,27?,28-/m1/s1
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 0.120n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450747
PNG
(CHEMBL95132)
Show SMILES Clc1cncc(OC[C@H]2CCN2)c1
Show InChI InChI=1S/C9H11ClN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m1/s1
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 0.120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450737
PNG
(CHEMBL97314)
Show SMILES Cc1cncc(OC[C@H]2CCN2)c1
Show InChI InChI=1S/C10H14N2O/c1-8-4-10(6-11-5-8)13-7-9-2-3-12-9/h4-6,9,12H,2-3,7H2,1H3/t9-/m1/s1
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 0.160n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450744
PNG
(CHEMBL314303)
Show SMILES Brc1ccc(OC[C@H]2CCN2)cn1
Show InChI InChI=1S/C9H11BrN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1
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 0.170n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450731
PNG
(CHEMBL96733)
Show SMILES Brc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11BrN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
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 0.180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50255753
PNG
(CHEMBL481611 | MK-0822 | Odanacatib)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1
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 0.180n/an/an/an/an/an/an/an/a



CNRS UPR 4301

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K

Eur J Med Chem 144: 201-210 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.012
BindingDB Entry DOI: 10.7270/Q2MP55ZM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM86663
PNG
(CAS_0 | HS595 | NSC_0)
Show SMILES COc1c2O[C@@]3(C)c4oc5ccccc5c4C[C@@]4(O)C5Cc(cc1O)c2C34CCN5CC1CC1 |r,TLB:30:29:21.20.25:17,3:25:17:29.28.27,THB:18:17:21.20.25:29.28.27|
Show InChI InChI=1S/C28H29NO5/c1-26-25-18(17-5-3-4-6-20(17)33-25)13-28(31)21-12-16-11-19(30)23(32-2)24(34-26)22(16)27(26,28)9-10-29(21)14-15-7-8-15/h3-6,11,15,21,30-31H,7-10,12-14H2,1-2H3/t21?,26-,27?,28+/m0/s1
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 0.220n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM86662
PNG
(CAS_111555-53-4 | NALTRINDOLE | NSC_3034754)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O |TLB:28:29:7.12.13:5.4.18,THB:30:29:7.12.13:5.4.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2
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 0.300n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450711
PNG
(CHEMBL317486)
Show SMILES [O-][N+](=O)c1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11N3O3/c13-12(14)8-3-9(5-10-4-8)15-6-7-1-2-11-7/h3-5,7,11H,1-2,6H2/t7-/m0/s1
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 0.330n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450733
PNG
(CHEMBL318726)
Show SMILES Fc1ncccc1OC[C@H]1CCN1
Show InChI InChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m1/s1
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 0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM86668
PNG
(HS378)
Show SMILES CCO[C@]12Cc3c(nc4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |r,TLB:23:22:19.20.18:3,17:18:3:22.27.28,THB:2:3:19.20.18:22.27.28|
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 0.400n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM86665
PNG
(HS531)
Show SMILES CO[C@]12Cc3c(C4Oc5c6c(CC1N(CC=C)CCC246)ccc5O)n(C)c1ccccc31 |r,TLB:14:13:10.11.9:2,8:9:2:13.17.18,THB:1:2:10.11.9:13.17.18|
Show InChI InChI=1S/C27H28N2O3/c1-4-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(15-27(26,31-3)21(29)14-16)17-7-5-6-8-19(17)28(23)2/h4-10,21,25,30H,1,11-15H2,2-3H3/t21?,25?,26?,27-/m1/s1
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 0.420n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450735
PNG
(CHEMBL96630)
Show SMILES FC(F)(F)c1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C10H11F3N2O/c11-10(12,13)7-3-9(5-14-4-7)16-6-8-1-2-15-8/h3-5,8,15H,1-2,6H2/t8-/m0/s1
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 0.490n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450739
PNG
(CHEMBL94528)
Show SMILES CC(=O)NCc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C12H17N3O2/c1-9(16)15-6-10-4-12(7-13-5-10)17-8-11-2-3-14-11/h4-5,7,11,14H,2-3,6,8H2,1H3,(H,15,16)/t11-/m0/s1
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 0.540n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450727
PNG
(CHEMBL94304)
Show SMILES COc1ccc(OC[C@H]2CCN2)cn1
Show InChI InChI=1S/C10H14N2O2/c1-13-10-3-2-9(6-12-10)14-7-8-4-5-11-8/h2-3,6,8,11H,4-5,7H2,1H3/t8-/m1/s1
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 0.670n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)		BDBM9277
PNG
((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C28H38N2O7S/c1-19(2)16-30(38(33,34)22-11-9-20(3)10-12-22)17-25(31)24(15-21-7-5-4-6-8-21)29-28(32)37-26-18-36-27-23(26)13-14-35-27/h4-12,19,23-27,31H,13-18H2,1-3H3,(H,29,32)/t23-,24-,25+,26-,27+/m0/s1
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 1.20 -50.9n/an/an/an/an/a6.425



University of Illinois at Chicago



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...

Bioorg Med Chem Lett 8: 687-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00098-5
BindingDB Entry DOI: 10.7270/Q2J101DQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)		BDBM9270
PNG
((3S)-1,1-dioxo--thiolan-3-yl N-[(2S,3R)-3-hydroxy-...)
Show SMILES [H][C@@]1(CCS(=O)(=O)C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C26H36N2O8S2/c1-19(2)16-28(38(33,34)23-11-9-21(35-3)10-12-23)17-25(29)24(15-20-7-5-4-6-8-20)27-26(30)36-22-13-14-37(31,32)18-22/h4-12,19,22,24-25,29H,13-18H2,1-3H3,(H,27,30)/t22-,24-,25+/m0/s1
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 1.20 -50.9n/an/an/an/an/a6.425



University of Illinois at Chicago



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...

Bioorg Med Chem Lett 8: 687-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00098-5
BindingDB Entry DOI: 10.7270/Q2J101DQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450736
PNG
(CHEMBL92038)
Show SMILES C=Cc1ccc(OC[C@@H]2CCN2)cn1
Show InChI InChI=1S/C11H14N2O/c1-2-9-3-4-11(7-13-9)14-8-10-5-6-12-10/h2-4,7,10,12H,1,5-6,8H2/t10-/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450741
PNG
(CHEMBL97288)
Show SMILES COc1ccc(OC[C@@H]2CCN2)cn1
Show InChI InChI=1S/C10H14N2O2/c1-13-10-3-2-9(6-12-10)14-7-8-4-5-11-8/h2-3,6,8,11H,4-5,7H2,1H3/t8-/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)		BDBM9271
PNG
((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...)
Show SMILES [H][C@]1(CCS(=O)(=O)[C@]1([H])C(C)C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C29H42N2O8S2/c1-20(2)18-31(41(36,37)24-13-11-23(38-5)12-14-24)19-26(32)25(17-22-9-7-6-8-10-22)30-29(33)39-27-15-16-40(34,35)28(27)21(3)4/h6-14,20-21,25-28,32H,15-19H2,1-5H3,(H,30,33)/t25-,26+,27+,28+/m0/s1
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 1.40 -50.5n/an/an/an/an/a6.425



University of Illinois at Chicago



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...

Bioorg Med Chem Lett 8: 687-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00098-5
BindingDB Entry DOI: 10.7270/Q2J101DQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450746
PNG
(CHEMBL441069)
Show SMILES Cc1ncccc1OC[C@@H]1CCN1
Show InChI InChI=1S/C10H14N2O/c1-8-10(3-2-5-11-8)13-7-9-4-6-12-9/h2-3,5,9,12H,4,6-7H2,1H3/t9-/m0/s1
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 1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)		BDBM9272
PNG
((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...)
Show SMILES [H][C@]1(CCS(=O)(=O)[C@]1([H])C(C)C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C28H41N3O7S2/c1-19(2)17-31(40(36,37)23-12-10-22(29)11-13-23)18-25(32)24(16-21-8-6-5-7-9-21)30-28(33)38-26-14-15-39(34,35)27(26)20(3)4/h5-13,19-20,24-27,32H,14-18,29H2,1-4H3,(H,30,33)/t24-,25+,26+,27+/m0/s1
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 1.5 -50.4n/an/an/an/an/a6.425



University of Illinois at Chicago



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...

Bioorg Med Chem Lett 8: 687-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00098-5
BindingDB Entry DOI: 10.7270/Q2J101DQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)		BDBM9273
PNG
((3S)-oxolan-3-yl N-[(2S,3R)-3-hydroxy-4-[(4-methox...)
Show SMILES [H][C@@]1(CCOC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C26H36N2O7S/c1-19(2)16-28(36(31,32)23-11-9-21(33-3)10-12-23)17-25(29)24(15-20-7-5-4-6-8-20)27-26(30)35-22-13-14-34-18-22/h4-12,19,22,24-25,29H,13-18H2,1-3H3,(H,27,30)/t22-,24-,25+/m0/s1
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 1.5 -50.4n/an/an/an/an/a6.425



University of Illinois at Chicago



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...

Bioorg Med Chem Lett 8: 687-90 (1998)


Article DOI: 10.1016/s0960-894x(98)00098-5
BindingDB Entry DOI: 10.7270/Q2J101DQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50450740
PNG
(CHEMBL327164)
Show SMILES N#Cc1ccc(OC[C@@H]2CCN2)cn1
Show InChI InChI=1S/C10H11N3O/c11-5-8-1-2-10(6-13-8)14-7-9-3-4-12-9/h1-2,6,9,12H,3-4,7H2/t9-/m0/s1
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 1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand

Bioorg Med Chem Lett 8: 2797-802 (1999)


BindingDB Entry DOI: 10.7270/Q23J3FGV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50463221
PNG
(CHEMBL4251253)
Show SMILES FC(F)(F)Oc1ccc(Nc2nc(nc(n2)N2CCOCC2)C#N)cc1
Show InChI InChI=1S/C15H13F3N6O2/c16-15(17,18)26-11-3-1-10(2-4-11)20-13-21-12(9-19)22-14(23-13)24-5-7-25-8-6-24/h1-4H,5-8H2,(H,20,21,22,23)
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 2n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by Cheng-Prusoff equation analysis

Bioorg Med Chem 26: 4310-4319 (2018)


Article DOI: 10.1016/j.bmc.2018.07.032
BindingDB Entry DOI: 10.7270/Q2P271RF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM86669
PNG
(HS414)
Show SMILES CCO[C@]12Cc3c(nc4ccccc34)C3Oc4c5c(CC1N(CC=C)CCC235)ccc4O |r,TLB:22:21:18.19.17:3,16:17:3:21.25.26,THB:2:3:18.19.17:21.25.26|
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 2.10n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair
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