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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with Target = 'CHRNA4' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
CHRNA4


(RAT)
BDBM86812
PNG
(CAS_45263784 | NSC_45263784 | rac-2-(6-fluoro-5-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2
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0.00900n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CHRNA4


(RAT)
BDBM50100717
PNG
(2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...)
Show SMILES C1CC2NC1CC2c1cccnc1
Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2
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0.0200n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
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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0.0260n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86815
PNG
(CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...)
Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2
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0.0290n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86816
PNG
(CAS_45263769 | NSC_45263769 | rac-2-(5-(4-chloroph...)
Show SMILES Fc1ncc(cc1-c1ccc(Cl)cc1)C1CC2CCC1N2
Show InChI InChI=1S/C17H16ClFN2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2
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0.0440n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86810
PNG
(CAS_45266065 | NSC_45266065 | rac-2-(6-fluoro-5-(3...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-2-1-3-13(6-10)21(22)23)7-11(9-19-17)14-8-12-4-5-16(14)20-12/h1-3,6-7,9,12,14,16,20H,4-5,8H2
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0.0530n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86805
PNG
(CAS_45263788 | NSC_45263788 | US9150581, RTI-7527-...)
Show SMILES Fc1ncc(cc1-c1cccc(Cl)c1)C1CC2CCC1N2
Show InChI InChI=1S/C17H16ClFN2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2
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0.0730n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86819
PNG
(CAS_45263772 | NSC_45263772 | rac-2-(6-fluoro-5-(3...)
Show SMILES Fc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2
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0.0870n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CHRNA4


(RAT)
BDBM86817
PNG
(CAS_45263779 | NSC_45263779 | rac-4-(5-(7-aza-bicy...)
Show SMILES Nc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C17H18FN3/c18-17-15(10-1-3-12(19)4-2-10)7-11(9-20-17)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8,19H2
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0.0950n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86807
PNG
(CAS_45263775 | NSC_45263775 | rac-3-(5-(7-aza-bicy...)
Show SMILES Nc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C17H18FN3/c18-17-15(10-2-1-3-12(19)6-10)7-11(9-20-17)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8,19H2
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0.100n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86818
PNG
(CAS_45266054 | NSC_45266054 | rac-2-(6-fluoro-5-(3...)
Show SMILES COc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C18H19FN2O/c1-22-14-4-2-3-11(7-14)16-8-12(10-20-18(16)19)15-9-13-5-6-17(15)21-13/h2-4,7-8,10,13,15,17,21H,5-6,9H2,1H3
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0.120n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
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0.120n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86809
PNG
(3'-(4-fluorophenyl)deschloroepibatidine | CAS_...)
Show SMILES Fc1ccc(cc1)-c1cncc(c1)C1CC2CCC1N2
Show InChI InChI=1S/C17H17FN2/c18-14-3-1-11(2-4-14)12-7-13(10-19-9-12)16-8-15-5-6-17(16)20-15/h1-4,7,9-10,15-17,20H,5-6,8H2
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0.150n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86822
PNG
(CAS_45263767 | NSC_45263767 | rac-3'-(3-nitrop...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cncc(c1)C1CC2CCC1N2
Show InChI InChI=1S/C17H17N3O2/c21-20(22)15-3-1-2-11(7-15)12-6-13(10-18-9-12)16-8-14-4-5-17(16)19-14/h1-3,6-7,9-10,14,16-17,19H,4-5,8H2
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0.170n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86820
PNG
(CAS_45263774 | NSC_45263774 | rac-3'-(3-chloro...)
Show SMILES Clc1cccc(c1)-c1cncc(c1)C1CC2CCC1N2
Show InChI InChI=1S/C17H17ClN2/c18-14-3-1-2-11(7-14)12-6-13(10-19-9-12)16-8-15-4-5-17(16)20-15/h1-3,6-7,9-10,15-17,20H,4-5,8H2
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0.170n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86821
PNG
(CAS_45263766 | NSC_45263766 | rac-3'-(3-fluoro...)
Show SMILES Fc1cccc(c1)-c1cncc(c1)C1CC2CCC1N2
Show InChI InChI=1S/C17H17FN2/c18-14-3-1-2-11(7-14)12-6-13(10-19-9-12)16-8-15-4-5-17(16)20-15/h1-3,6-7,9-10,15-17,20H,4-5,8H2
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0.200n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86811
PNG
(3-(4-chlorophenyl)deschloroepibatidine | CAS_44452...)
Show SMILES Clc1ccc(cc1)-c1cncc(c1)C1CC2CCC1N2
Show InChI InChI=1S/C17H17ClN2/c18-14-3-1-11(2-4-14)12-7-13(10-19-9-12)16-8-15-5-6-17(16)20-15/h1-4,7,9-10,15-17,20H,5-6,8H2
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0.210n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86806
PNG
(CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...)
Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2
Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
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0.240n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86814
PNG
(CAS_45266060 | NSC_45266060 | rac-3'-(4-nitrop...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cncc(c1)C1CC2CCC1N2
Show InChI InChI=1S/C17H17N3O2/c21-20(22)15-4-1-11(2-5-15)12-7-13(10-18-9-12)16-8-14-3-6-17(16)19-14/h1-2,4-5,7,9-10,14,16-17,19H,3,6,8H2
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0.340n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86813
PNG
(CAS_45266021 | NSC_45266021 | rac-3-(4-aminophenyl...)
Show SMILES Nc1ccc(cc1)-c1cncc(c1)C1CC2CCC1N2
Show InChI InChI=1S/C17H19N3/c18-14-3-1-11(2-4-14)12-7-13(10-19-9-12)16-8-15-5-6-17(16)20-15/h1-4,7,9-10,15-17,20H,5-6,8,18H2
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0.340n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86823
PNG
(CAS_45263792 | NSC_45263792 | rac-3-(3-methoxyphen...)
Show SMILES COc1cccc(c1)-c1cncc(c1)C1CC2CCC1N2
Show InChI InChI=1S/C18H20N2O/c1-21-16-4-2-3-12(8-16)13-7-14(11-19-10-13)17-9-15-5-6-18(17)20-15/h2-4,7-8,10-11,15,17-18,20H,5-6,9H2,1H3
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0.430n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86824
PNG
(CAS_45266048 | NSC_45266048 | rac-3-phenyldeschlor...)
Show SMILES C1CC2NC1CC2c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C17H18N2/c1-2-4-12(5-3-1)13-8-14(11-18-10-13)16-9-15-6-7-17(16)19-15/h1-5,8,10-11,15-17,19H,6-7,9H2
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0.5n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(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



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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86808
PNG
(CAS_45263778 | NSC_45263778 | rac-3'-(3-aminop...)
Show SMILES Nc1cccc(c1)-c1cncc(c1)C1CC2CCC1N2
Show InChI InChI=1S/C17H19N3/c18-14-3-1-2-11(7-14)12-6-13(10-19-9-12)16-8-15-4-5-17(16)20-15/h1-3,6-7,9-10,15-17,20H,4-5,8,18H2
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1.16n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(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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1.5n/an/an/an/an/an/an/an/a



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Ligand-Target Pair
CHRNA4


(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

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More data for this
Ligand-Target Pair
CHRNA4


(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

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Ligand-Target Pair
CHRNA4


(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

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Ligand-Target Pair
CHRNA4


(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

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More data for this
Ligand-Target Pair
CHRNA4


(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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7n/an/an/an/an/an/an/an/a



Solvay Pharmaceuticals

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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86831
PNG
((+/-)-2-(pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES C1CC(CN1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C11H13N3/c1-2-8-6-10(9-3-5-12-7-9)14-11(8)13-4-1/h1-2,4,6,9,12H,3,5,7H2,(H,13,14)
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10n/an/an/an/an/an/an/an/a



Solvay Pharmaceuticals

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Ligand-Target Pair
CHRNA4


(RAT)
BDBM86826
PNG
((S)-5-(5-methoxypyridin-3-yl)-N-methylpent-4-en-2-...)
Show SMILES CNC(C)CC=Cc1cncc(OC)c1
Show InChI InChI=1S/C12H18N2O/c1-10(13-2)5-4-6-11-7-12(15-3)9-14-8-11/h4,6-10,13H,5H2,1-3H3
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11n/an/an/an/an/an/an/an/a



Solvay Pharmaceuticals

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More data for this
Ligand-Target Pair
CHRNA4


(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




Citation and Details
More data for this
Ligand-Target Pair
CHRNA4


(RAT)
BDBM86831
PNG
((+/-)-2-(pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES C1CC(CN1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C11H13N3/c1-2-8-6-10(9-3-5-12-7-9)14-11(8)13-4-1/h1-2,4,6,9,12H,3,5,7H2,(H,13,14)
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16n/an/an/an/an/an/an/an/a



Solvay Pharmaceuticals

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More data for this
Ligand-Target Pair
CHRNA4


(RAT)
BDBM86833
PNG
(CAS_5310967 | Methyl-((E)-4-pyridin-3-yl-but-3-eny...)
Show SMILES CNCCC=Cc1cccnc1
Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3
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26n/an/an/an/an/an/an/an/a



Solvay Pharmaceuticals

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Ligand-Target Pair
CHRNA4


(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




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More data for this
Ligand-Target Pair
CHRNA4


(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




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More data for this
Ligand-Target Pair
CHRNA4


(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




Citation and Details
More data for this
Ligand-Target Pair
CHRNA4


(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




Citation and Details
More data for this
Ligand-Target Pair
CHRNA4


(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




Citation and Details
More data for this
Ligand-Target Pair
CHRNA4


(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




Citation and Details
More data for this
Ligand-Target Pair
CHRNA4


(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




Citation and Details
More data for this
Ligand-Target Pair
CHRNA4


(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




Citation and Details
More data for this
Ligand-Target Pair
CHRNA4


(RAT)
BDBM86825
PNG
((R)-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES C(C1CCCN1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C12H15N3/c1-3-9-7-11(15-12(9)14-6-1)8-10-4-2-5-13-10/h1,3,6-7,10,13H,2,4-5,8H2,(H,14,15)
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125n/an/an/an/an/an/an/an/a



Solvay Pharmaceuticals

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More data for this
Ligand-Target Pair
CHRNA4


(RAT)
BDBM86836
PNG
((R)-6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[...)
Show SMILES Clc1ccc2cc(CC3CCCN3)[nH]c2n1
Show InChI InChI=1S/C12H14ClN3/c13-11-4-3-8-6-10(15-12(8)16-11)7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16)
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147n/an/an/an/an/an/an/an/a



Solvay Pharmaceuticals

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
CHRNA4


(RAT)
BDBM86831
PNG
((+/-)-2-(pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES C1CC(CN1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C11H13N3/c1-2-8-6-10(9-3-5-12-7-9)14-11(8)13-4-1/h1-2,4,6,9,12H,3,5,7H2,(H,13,14)
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251n/an/an/an/an/an/an/an/a



Solvay Pharmaceuticals

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Citation and Details
More data for this
Ligand-Target Pair
CHRNA4


(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




Citation and Details
More data for this
Ligand-Target Pair
CHRNA4


(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




Citation and Details
More data for this
Ligand-Target Pair
CHRNA4


(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




Citation and Details
More data for this
Ligand-Target Pair
CHRNA4


(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




Citation and Details
More data for this
Ligand-Target Pair
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