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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 4854   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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0.400n/an/an/an/an/an/an/an/a



Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 329-36 (1995)


BindingDB Entry DOI: 10.7270/Q29S1PJ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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0.800n/an/an/an/an/an/an/an/a



Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 329-36 (1995)


BindingDB Entry DOI: 10.7270/Q29S1PJ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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1.20n/an/an/an/an/an/an/an/a



Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 329-36 (1995)


BindingDB Entry DOI: 10.7270/Q29S1PJ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.30n/an/an/an/an/an/an/an/a



Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 329-36 (1995)


BindingDB Entry DOI: 10.7270/Q29S1PJ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.90n/an/an/an/an/an/an/an/a



Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 329-36 (1995)


BindingDB Entry DOI: 10.7270/Q29S1PJ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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4n/an/an/an/an/an/an/an/a



Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 329-36 (1995)


BindingDB Entry DOI: 10.7270/Q29S1PJ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM82065
PNG
(CAS_163839 | NSC_163839 | OPC-4392)
Show SMILES Cc1cccc(N2CCN(CCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1C
Show InChI InChI=1S/C24H29N3O2/c1-18-5-3-6-23(19(18)2)27-14-12-26(13-15-27)11-4-16-29-21-9-7-20-8-10-24(28)25-22(20)17-21/h3,5-10,17H,4,11-16H2,1-2H3,(H,25,28)
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9.80n/an/an/an/an/an/an/an/a



Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 329-36 (1995)


BindingDB Entry DOI: 10.7270/Q29S1PJ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM82065
PNG
(CAS_163839 | NSC_163839 | OPC-4392)
Show SMILES Cc1cccc(N2CCN(CCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1C
Show InChI InChI=1S/C24H29N3O2/c1-18-5-3-6-23(19(18)2)27-14-12-26(13-15-27)11-4-16-29-21-9-7-20-8-10-24(28)25-22(20)17-21/h3,5-10,17H,4,11-16H2,1-2H3,(H,25,28)
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18n/an/an/an/an/an/an/an/a



Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 329-36 (1995)


BindingDB Entry DOI: 10.7270/Q29S1PJ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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18.3n/an/an/an/an/an/an/an/a



Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 329-36 (1995)


BindingDB Entry DOI: 10.7270/Q29S1PJ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM82065
PNG
(CAS_163839 | NSC_163839 | OPC-4392)
Show SMILES Cc1cccc(N2CCN(CCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1C
Show InChI InChI=1S/C24H29N3O2/c1-18-5-3-6-23(19(18)2)27-14-12-26(13-15-27)11-4-16-29-21-9-7-20-8-10-24(28)25-22(20)17-21/h3,5-10,17H,4,11-16H2,1-2H3,(H,25,28)
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19.8n/an/an/an/an/an/an/an/a



Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 329-36 (1995)


BindingDB Entry DOI: 10.7270/Q29S1PJ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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46.5n/an/an/an/an/an/an/an/a



Third Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 329-36 (1995)


BindingDB Entry DOI: 10.7270/Q29S1PJ5
More data for this
Ligand-Target Pair