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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'lockhart' and Initial = 'b'   
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


(Rattus norvegicus (Rat))
BDBM86902
PNG
(1-((5-bromopyridin-3-yloxy)methyl)-N-methylcyclopr...)
Show SMILES CNC1(COc2cncc(Br)c2)CC1
Show InChI InChI=1S/C10H13BrN2O/c1-12-10(2-3-10)7-14-9-4-8(11)5-13-6-9/h4-6,12H,2-3,7H2,1H3
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1.07n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86919
PNG
(CAS_22325164 | N-methyl-1-((pyridin-3-yloxy)methyl...)
Show SMILES CNC1(COc2cccnc2)CC1
Show InChI InChI=1S/C10H14N2O/c1-11-10(4-5-10)8-13-9-3-2-6-12-7-9/h2-3,6-7,11H,4-5,8H2,1H3
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3n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
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
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4n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86899
PNG
(1-((5-bromo-6-chloropyridin-3-yloxy)methyl)-N-meth...)
Show SMILES CNC1(COc2cnc(Cl)c(Br)c2)CC1
Show InChI InChI=1S/C10H12BrClN2O/c1-13-10(2-3-10)6-15-7-4-8(11)9(12)14-5-7/h4-5,13H,2-3,6H2,1H3
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5.37n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86907
PNG
(1-((5-ethynylpyridin-3-yloxy)methyl)-N-methylcyclo...)
Show SMILES CNC1(COc2cncc(c2)C#C)CC1
Show InChI InChI=1S/C12H14N2O/c1-3-10-6-11(8-14-7-10)15-9-12(13-2)4-5-12/h1,6-8,13H,4-5,9H2,2H3
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6.56n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86918
PNG
(1-((6-chloropyridin-3-yloxy)methyl)-N-methylcyclop...)
Show SMILES CNC1(COc2ccc(Cl)nc2)CC1
Show InChI InChI=1S/C10H13ClN2O/c1-12-10(4-5-10)7-14-8-2-3-9(11)13-6-8/h2-3,6,12H,4-5,7H2,1H3
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13n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86911
PNG
(1-(pyridin-3-yloxymethyl)-cyclopropylamine; hydroc...)
Show SMILES NC1(COc2cccnc2)CC1
Show InChI InChI=1S/C9H12N2O/c10-9(3-4-9)7-12-8-2-1-5-11-6-8/h1-2,5-6H,3-4,7,10H2
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34n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86915
PNG
(1-((6-bromopyridin-3-yloxy)methyl)-N-methylcyclopr...)
Show SMILES CNC1(COc2ccc(Br)nc2)CC1
Show InChI InChI=1S/C10H13BrN2O/c1-12-10(4-5-10)7-14-8-2-3-9(11)13-6-8/h2-3,6,12H,4-5,7H2,1H3
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38.8n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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39n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86922
PNG
(CAS_9899400 | N-methyl-1-((6-methylpyridin-3-yloxy...)
Show SMILES CNC1(COc2ccc(C)nc2)CC1
Show InChI InChI=1S/C11H16N2O/c1-9-3-4-10(7-13-9)14-8-11(12-2)5-6-11/h3-4,7,12H,5-6,8H2,1-2H3
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40n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86905
PNG
(CAS_45263892 | N-methyl-1-((5-vinylpyridin-3-yloxy...)
Show SMILES CNC1(COc2cncc(C=C)c2)CC1
Show InChI InChI=1S/C12H16N2O/c1-3-10-6-11(8-14-7-10)15-9-12(13-2)4-5-12/h3,6-8,13H,1,4-5,9H2,2H3
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70.1n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86916
PNG
(CAS_22325080 | NSC_22325080 | dimethyl-[1-(pyridin...)
Show SMILES CN(C)C1(COc2cccnc2)CC1
Show InChI InChI=1S/C11H16N2O/c1-13(2)11(5-6-11)9-14-10-4-3-7-12-8-10/h3-4,7-8H,5-6,9H2,1-2H3
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95n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86908
PNG
(1-(6-chloro-pyridin-3-yloxymethyl)-cyclopropylamin...)
Show SMILES NC1(COc2ccc(Cl)nc2)CC1
Show InChI InChI=1S/C9H11ClN2O/c10-8-2-1-7(5-12-8)13-6-9(11)3-4-9/h1-2,5H,3-4,6,11H2
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98n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86920
PNG
(CAS_9944441 | NSC_9944441 | methyl-{1-[2-(pyridin-...)
Show SMILES CNC1(CCOc2cccnc2)CC1
Show InChI InChI=1S/C11H16N2O/c1-12-11(4-5-11)6-8-14-10-3-2-7-13-9-10/h2-3,7,9,12H,4-6,8H2,1H3
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109n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86912
PNG
(CAS_45263898 | N-methyl-1-(2-(pyridin-3-yl)ethyl)c...)
Show SMILES CNC1(CCc2cccnc2)CC1
Show InChI InChI=1S/C11H16N2/c1-12-11(6-7-11)5-4-10-3-2-8-13-9-10/h2-3,8-9,12H,4-7H2,1H3
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251n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86921
PNG
(1-((6-methylpyridin-3-yloxy)methyl)cyclopropanamin...)
Show SMILES Cc1ccc(OCC2(N)CC2)cn1
Show InChI InChI=1S/C10H14N2O/c1-8-2-3-9(6-12-8)13-7-10(11)4-5-10/h2-3,6H,4-5,7,11H2,1H3
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266n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86914
PNG
(CAS_45263712 | NSC_45263712 | [1-(5-bromo-pyridin-...)
Show SMILES CN(C)C1(COc2cncc(Br)c2)CC1
Show InChI InChI=1S/C11H15BrN2O/c1-14(2)11(3-4-11)8-15-10-5-9(12)6-13-7-10/h5-7H,3-4,8H2,1-2H3
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273n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86900
PNG
(1-((6-chloropyridin-3-yloxy)methyl)-N,N-dimethylcy...)
Show SMILES CN(C)C1(COc2ccc(Cl)nc2)CC1
Show InChI InChI=1S/C11H15ClN2O/c1-14(2)11(5-6-11)8-15-9-3-4-10(12)13-7-9/h3-4,7H,5-6,8H2,1-2H3
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304n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86901
PNG
(1-((6-bromopyridin-3-yloxy)methyl)-N,N-dimethylcyc...)
Show SMILES CN(C)C1(COc2ccc(Br)nc2)CC1
Show InChI InChI=1S/C11H15BrN2O/c1-14(2)11(5-6-11)8-15-9-3-4-10(12)13-7-9/h3-4,7H,5-6,8H2,1-2H3
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394n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86910
PNG
(CAS_44454126 | N-ethyl-1-((pyridin-3-yloxy)methyl)...)
Show SMILES CCNC1(COc2cccnc2)CC1
Show InChI InChI=1S/C11H16N2O/c1-2-13-11(5-6-11)9-14-10-4-3-7-12-8-10/h3-4,7-8,13H,2,5-6,9H2,1H3
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1.01E+3n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86909
PNG
(CAS_45263866 | N,N-dimethyl-1-((6-methylpyridin-3-...)
Show SMILES CN(C)C1(COc2ccc(C)nc2)CC1
Show InChI InChI=1S/C12H18N2O/c1-10-4-5-11(8-13-10)15-9-12(6-7-12)14(2)3/h4-5,8H,6-7,9H2,1-3H3
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1.09E+3n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86903
PNG
(CAS_45263725 | CAS_45263737 | NSC_45263725 | NSC_4...)
Show SMILES CNC1(CC1)C=CCOc1cccnc1 |w:5.5|
Show InChI InChI=1S/C12H16N2O/c1-13-12(6-7-12)5-3-9-15-11-4-2-8-14-10-11/h2-5,8,10,13H,6-7,9H2,1H3
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1.10E+3n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86906
PNG
(CAS_9922040 | NSC_9922040 | methyl-[1-(2-pyridin-3...)
Show SMILES CNC1(CC1)C=Cc1cccnc1 |w:5.5|
Show InChI InChI=1S/C11H14N2/c1-12-11(6-7-11)5-4-10-3-2-8-13-9-10/h2-5,8-9,12H,6-7H2,1H3
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1.16E+3n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86913
PNG
(3-((1-(pyrrolidin-1-yl)cyclopropyl)methoxy)pyridin...)
Show SMILES C(Oc1cccnc1)C1(CC1)N1CCCC1
Show InChI InChI=1S/C13H18N2O/c1-2-9-15(8-1)13(5-6-13)11-16-12-4-3-7-14-10-12/h3-4,7,10H,1-2,5-6,8-9,11H2
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1.61E+3n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86903
PNG
(CAS_45263725 | CAS_45263737 | NSC_45263725 | NSC_4...)
Show SMILES CNC1(CC1)C=CCOc1cccnc1 |w:5.5|
Show InChI InChI=1S/C12H16N2O/c1-13-12(6-7-12)5-3-9-15-11-4-2-8-14-10-11/h2-5,8,10,13H,6-7,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.28E+3n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86917
PNG
(CAS_44454204 | NSC_44454204 | methyl-{1-[3-(pyridi...)
Show SMILES CNC1(CCCOc2cccnc2)CC1
Show InChI InChI=1S/C12H18N2O/c1-13-12(6-7-12)5-3-9-15-11-4-2-8-14-10-11/h2,4,8,10,13H,3,5-7,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.46E+3n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.075
BindingDB Entry DOI: 10.7270/Q2QF8RG1
More data for this
Ligand-Target Pair