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Compile Data Set for Download or QSAR

Found 673 hits with Last Name = 'petukhov' and Initial = 'pa'   
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-2/beta-2


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0250n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for binding affinity against Nicotinic acetylcholine receptor alpha2-beta2


J Med Chem 46: 921-4 (2003)


Article DOI: 10.1021/jm025613w
BindingDB Entry DOI: 10.7270/Q2P271VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0350n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for binding affinity against Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 46: 921-4 (2003)


Article DOI: 10.1021/jm025613w
BindingDB Entry DOI: 10.7270/Q2P271VS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0350n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0610n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for binding affinity against Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 46: 921-4 (2003)


Article DOI: 10.1021/jm025613w
BindingDB Entry DOI: 10.7270/Q2P271VS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0610n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-4


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0950n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for binding affinity against Nicotinic acetylcholine receptor alpha2-beta4


J Med Chem 46: 921-4 (2003)


Article DOI: 10.1021/jm025613w
BindingDB Entry DOI: 10.7270/Q2P271VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-4


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.157n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for binding affinity against Nicotinic acetylcholine receptor alpha4-beta4


J Med Chem 46: 921-4 (2003)


Article DOI: 10.1021/jm025613w
BindingDB Entry DOI: 10.7270/Q2P271VS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))
BDBM50162983
PNG
(6-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-3-yl]...)
Show SMILES OCCCCC#Cc1cncc(c1)C1CC2CCC1N2 |THB:11:13:19:17.16|
Show InChI InChI=1S/C17H22N2O/c20-8-4-2-1-3-5-13-9-14(12-18-11-13)16-10-15-6-7-17(16)19-15/h9,11-12,15-17,19-20H,1-2,4,6-8,10H2
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0.230n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50097613
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenylet...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8,11,15H2,1H3/t18-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.565n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for binding affinity against Nicotinic acetylcholine receptor alpha3-beta4


J Med Chem 46: 921-4 (2003)


Article DOI: 10.1021/jm025613w
BindingDB Entry DOI: 10.7270/Q2P271VS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.570n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha3-beta4


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50162987
PNG
(6-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCO
Show InChI InChI=1S/C17H24N2O2/c1-19-9-6-8-16(19)14-21-17-11-15(12-18-13-17)7-4-2-3-5-10-20/h11-13,16,20H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
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0.850n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143073
PNG
((S)-2-{3-[(S)-1-Carboxy-3-(1H-tetrazol-5-yl)-propy...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCc1nnn[nH]1)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N6O7/c18-8(19)4-2-6(10(22)23)13-11(24)12-5(9(20)21)1-3-7-14-16-17-15-7/h5-6H,1-4H2,(H,18,19)(H,20,21)(H,22,23)(H2,12,13,24)(H,14,15,16,17)/t5-,6-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50162988
PNG
(3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCO
Show InChI InChI=1S/C14H18N2O2/c1-16-6-2-5-13(16)11-18-14-8-12(4-3-7-17)9-15-10-14/h8-10,13,17H,2,5-7,11H2,1H3/t13-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50162984
PNG
(3-(6-Fluoro-hex-1-ynyl)-5-((S)-1-methyl-pyrrolidin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCF
Show InChI InChI=1S/C17H23FN2O/c1-20-10-6-8-16(20)14-21-17-11-15(12-19-13-17)7-4-2-3-5-9-18/h11-13,16H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
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0.950n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50162982
PNG
(3-Hex-1-ynyl-5-((S)-1-methyl-pyrrolidin-2-ylmethox...)
Show SMILES CCCCC#Cc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(13-18-12-15)20-14-16-9-7-10-19(16)2/h11-13,16H,3-5,7,9-10,14H2,1-2H3/t16-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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1.40n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50162986
PNG
(3-Ethynyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#C
Show InChI InChI=1S/C13H16N2O/c1-3-11-7-13(9-14-8-11)16-10-12-5-4-6-15(12)2/h1,7-9,12H,4-6,10H2,2H3/t12-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50049756
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine |...)
Show SMILES CN1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3/t10-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143074
PNG
((S)-2-[3-((S)-Carboxy-phenyl-methyl)-ureido]-penta...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@H](C(O)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C14H16N2O7/c17-10(18)7-6-9(12(19)20)15-14(23)16-11(13(21)22)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,17,18)(H,19,20)(H,21,22)(H2,15,16,23)/t9-,11-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50162985
PNG
(2-Methyl-4-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CC(C)(C)O
Show InChI InChI=1S/C16H22N2O2/c1-16(2,19)7-6-13-9-15(11-17-10-13)20-12-14-5-4-8-18(14)3/h9-11,14,19H,4-5,8,12H2,1-3H3/t14-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143078
PNG
((S)-2-{3-[(S)-1-Carboxy-2-(4-hydroxy-phenyl)-ethyl...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H18N2O8/c18-9-3-1-8(2-4-9)7-11(14(23)24)17-15(25)16-10(13(21)22)5-6-12(19)20/h1-4,10-11,18H,5-7H2,(H,19,20)(H,21,22)(H,23,24)(H2,16,17,25)/t10-,11-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143070
PNG
((S)-2-(3-{(S)-1-Carboxy-3-[1-(2-cyano-ethyl)-1H-te...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCc1nnnn1CCC#N)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H19N7O7/c15-6-1-7-21-10(18-19-20-21)4-2-8(12(24)25)16-14(28)17-9(13(26)27)3-5-11(22)23/h8-9H,1-5,7H2,(H,22,23)(H,24,25)(H,26,27)(H2,16,17,28)/t8-,9-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50122942
PNG
(5-(3,5-Bis-trifluoromethyl-phenyl)-penta-2,4-dieno...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)\C=C\C=C\c3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C28H29F6N3O3/c1-16(2)25-26(40)36-22(15-38)13-18-12-21(8-9-23(18)37(25)3)35-24(39)7-5-4-6-17-10-19(27(29,30)31)14-20(11-17)28(32,33)34/h4-12,14,16,22,25,38H,13,15H2,1-3H3,(H,35,39)(H,36,40)/b6-4+,7-5+/t22-,25-/m0/s1
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5.60n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylserine


J Med Chem 46: 364-73 (2003)


Article DOI: 10.1021/jm020350r
BindingDB Entry DOI: 10.7270/Q20864P8
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143080
PNG
((S)-2-{3-[(S)-Carboxy-(4-hydroxy-phenyl)-methyl]-u...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@H](C(O)=O)c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C14H16N2O8/c17-8-3-1-7(2-4-8)11(13(22)23)16-14(24)15-9(12(20)21)5-6-10(18)19/h1-4,9,11,17H,5-6H2,(H,18,19)(H,20,21)(H,22,23)(H2,15,16,24)/t9-,11-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50162989
PNG
(10-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridi...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCCCCCO
Show InChI InChI=1S/C21H32N2O2/c1-23-13-10-12-20(23)18-25-21-15-19(16-22-17-21)11-8-6-4-2-3-5-7-9-14-24/h15-17,20,24H,2-7,9-10,12-14,18H2,1H3/t20-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50147851
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-pipe...)
Show SMILES CCC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClN/c1-3-4-13-11-17(2)10-9-15(13)12-5-7-14(16)8-6-12/h5-8,13,15H,3-4,9-11H2,1-2H3/t13-,15+/m0/s1
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6.5n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]NE at Norepinephrine transporter (NET) using rat brain parietal/occipital cortex


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))
BDBM50162988
PNG
(3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCO
Show InChI InChI=1S/C14H18N2O2/c1-16-6-2-5-13(16)11-18-14-8-12(4-3-7-17)9-15-10-14/h8-10,13,17H,2,5-7,11H2,1H3/t13-/m0/s1
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7.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))
BDBM50049756
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine |...)
Show SMILES CN1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3/t10-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50122938
PNG
(5-(3,5-Bis-trifluoromethyl-phenyl)-pentanoic acid ...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C28H33F6N3O3/c1-16(2)25-26(40)36-22(15-38)13-18-12-21(8-9-23(18)37(25)3)35-24(39)7-5-4-6-17-10-19(27(29,30)31)14-20(11-17)28(32,33)34/h8-12,14,16,22,25,38H,4-7,13,15H2,1-3H3,(H,35,39)(H,36,40)/t22-,25-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylserine


J Med Chem 46: 364-73 (2003)


Article DOI: 10.1021/jm020350r
BindingDB Entry DOI: 10.7270/Q20864P8
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50115557
PNG
(4-(4-Chloro-phenyl)-piperidine-3-carboxylic acid m...)
Show SMILES COC(=O)C1CNCC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClNO2/c1-17-13(16)12-8-15-7-6-11(12)9-2-4-10(14)5-3-9/h2-5,11-12,15H,6-8H2,1H3/t11-,12?/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50102258
PNG
((S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-ureido]-...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O9/c14-7(15)3-1-5(9(18)19)12-11(22)13-6(10(20)21)2-4-8(16)17/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,12,13,22)/t5-,6-/m0/s1
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8n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))
BDBM50162986
PNG
(3-Ethynyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#C
Show InChI InChI=1S/C13H16N2O/c1-3-11-7-13(9-14-8-11)16-10-12-5-4-6-15(12)2/h1,7-9,12H,4-6,10H2,2H3/t12-/m0/s1
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8.20n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))
BDBM50097613
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenylet...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8,11,15H2,1H3/t18-/m0/s1
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8.60n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50122941
PNG
(5-[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-octy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCc3ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C34H38F13N3O3/c1-19(2)27-28(53)49-24(18-51)17-22-16-23(12-13-25(22)50(27)3)48-26(52)7-5-4-6-20-8-10-21(11-9-20)14-15-29(35,36)30(37,38)31(39,40)32(41,42)33(43,44)34(45,46)47/h8-13,16,19,24,27,51H,4-7,14-15,17-18H2,1-3H3,(H,48,52)(H,49,53)/t24-,27-/m0/s1
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9.20n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylserine


J Med Chem 46: 364-73 (2003)


Article DOI: 10.1021/jm020350r
BindingDB Entry DOI: 10.7270/Q20864P8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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10n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for binding affinity against Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 46: 921-4 (2003)


Article DOI: 10.1021/jm025613w
BindingDB Entry DOI: 10.7270/Q2P271VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50122945
PNG
(5-[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-oct-...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)\C=C\C=C\c3ccc(\C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C34H32F13N3O3/c1-19(2)27-28(53)49-24(18-51)17-22-16-23(12-13-25(22)50(27)3)48-26(52)7-5-4-6-20-8-10-21(11-9-20)14-15-29(35,36)30(37,38)31(39,40)32(41,42)33(43,44)34(45,46)47/h4-16,19,24,27,51H,17-18H2,1-3H3,(H,48,52)(H,49,53)/b6-4+,7-5+,15-14+/t24-,27-/m0/s1
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11n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylserine


J Med Chem 46: 364-73 (2003)


Article DOI: 10.1021/jm020350r
BindingDB Entry DOI: 10.7270/Q20864P8
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50122940
PNG
((2S,5S)-(E,E)-8-(5-(4-(trifluoromethyl)phenyl)-2,4...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)\C=C\C=C\c3ccc(cc3)C(F)(F)F)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C27H30F3N3O3/c1-17(2)25-26(36)32-22(16-34)15-19-14-21(12-13-23(19)33(25)3)31-24(35)7-5-4-6-18-8-10-20(11-9-18)27(28,29)30/h4-14,17,22,25,34H,15-16H2,1-3H3,(H,31,35)(H,32,36)/b6-4+,7-5+/t22-,25-/m0/s1
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12n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylserine


J Med Chem 46: 364-73 (2003)


Article DOI: 10.1021/jm020350r
BindingDB Entry DOI: 10.7270/Q20864P8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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12n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for binding affinity against Nicotinic acetylcholine receptor alpha2-beta2


J Med Chem 46: 921-4 (2003)


Article DOI: 10.1021/jm025613w
BindingDB Entry DOI: 10.7270/Q2P271VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143069
PNG
((S)-2-[3-((S)-1-Carboxy-2-phenyl-ethyl)-ureido]-pe...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H18N2O7/c18-12(19)7-6-10(13(20)21)16-15(24)17-11(14(22)23)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,18,19)(H,20,21)(H,22,23)(H2,16,17,24)/t10-,11-/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50122939
PNG
(5-(4-Trifluoromethyl-phenyl)-pentanoic acid (5-hyd...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCc3ccc(cc3)C(F)(F)F)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C27H34F3N3O3/c1-17(2)25-26(36)32-22(16-34)15-19-14-21(12-13-23(19)33(25)3)31-24(35)7-5-4-6-18-8-10-20(11-9-18)27(28,29)30/h8-14,17,22,25,34H,4-7,15-16H2,1-3H3,(H,31,35)(H,32,36)/t22-,25-/m0/s1
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13n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylserine


J Med Chem 46: 364-73 (2003)


Article DOI: 10.1021/jm020350r
BindingDB Entry DOI: 10.7270/Q20864P8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))
BDBM50162987
PNG
(6-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCO
Show InChI InChI=1S/C17H24N2O2/c1-19-9-6-8-16(19)14-21-17-11-15(12-18-13-17)7-4-2-3-5-10-20/h11-13,16,20H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))
BDBM50162984
PNG
(3-(6-Fluoro-hex-1-ynyl)-5-((S)-1-methyl-pyrrolidin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCF
Show InChI InChI=1S/C17H23FN2O/c1-20-10-6-8-16(20)14-21-17-11-15(12-19-13-17)7-4-2-3-5-9-18/h11-13,16H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143066
PNG
((2S,5S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-urei...)
Show SMILES C[C@@H](C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H18N2O9/c1-5(9(17)18)4-7(11(21)22)14-12(23)13-6(10(19)20)2-3-8(15)16/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H2,13,14,23)/t5-,6-,7-/m0/s1
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14.4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143068
PNG
((S)-2-{3-[(S)-1-Carboxy-3-(1H-tetrazol-5-yl)-propy...)
Show SMILES OC(=O)[C@H](CCc1nnn[nH]1)NC(=O)N[C@@H](CCc1nnn[nH]1)C(O)=O
Show InChI InChI=1S/C11H16N10O5/c22-9(23)5(1-3-7-14-18-19-15-7)12-11(26)13-6(10(24)25)2-4-8-16-20-21-17-8/h5-6H,1-4H2,(H,22,23)(H,24,25)(H2,12,13,26)(H,14,15,18,19)(H,16,17,20,21)/t5-,6-/m0/s1
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14.9n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057509
PNG
((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1...)
Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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15n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylserine


J Med Chem 46: 364-73 (2003)


Article DOI: 10.1021/jm020350r
BindingDB Entry DOI: 10.7270/Q20864P8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50147831
PNG
(2-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-...)
Show SMILES CN(C)C(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H23ClN2O/c1-18(2)16(20)10-13-11-19(3)9-8-15(13)12-4-6-14(17)7-5-12/h4-7,13,15H,8-11H2,1-3H3/t13-,15+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]DA at Dopamine transporter (DAT) using rat brain striatum


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50122944
PNG
(5-Phenyl-penta-2,4-dienoic acid (5-hydroxymethyl-2...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)\C=C\C=C\c3ccccc3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C26H31N3O3/c1-18(2)25-26(32)28-22(17-30)16-20-15-21(13-14-23(20)29(25)3)27-24(31)12-8-7-11-19-9-5-4-6-10-19/h4-15,18,22,25,30H,16-17H2,1-3H3,(H,27,31)(H,28,32)/b11-7+,12-8+/t22-,25-/m0/s1
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16n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylserine


J Med Chem 46: 364-73 (2003)


Article DOI: 10.1021/jm020350r
BindingDB Entry DOI: 10.7270/Q20864P8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50147854
PNG
(3-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-...)
Show SMILES CN1CC[C@@H]([C@@H](CCCO)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClNO/c1-17-9-8-15(13(11-17)3-2-10-18)12-4-6-14(16)7-5-12/h4-7,13,15,18H,2-3,8-11H2,1H3/t13-,15+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]DA at Dopamine transporter (DAT) using rat brain striatum


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
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