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Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'leonard' and Initial = 'sk'   
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
D(1A) dopamine receptor


(RAT)
BDBM86180
PNG
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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0.320n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86180
PNG
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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0.690n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
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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0.740n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(3) 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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0.900n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(RAT)
BDBM86180
PNG
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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1n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
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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1.20n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM86182
PNG
(Dihydrexidine, 4-methyl-N-propyl)
Show SMILES CCCN1Cc2c(C)cccc2[C@@H]2[C@@H]1CCc1cc(O)c(O)cc21 |r|
Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/t18-,21-/m0/s1
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2.08n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50049047
PNG
(5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10...)
Show SMILES Oc1cc2CCC3NCc4ccccc4C3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2
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2.20n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM86183
PNG
(Dinapsoline,(+/-)-4-Methyl-N-propyl)
Show SMILES CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3ccc(C)c(C1)c23
Show InChI InChI=1S/C20H23NO2/c1-3-8-21-10-16-12(2)4-5-13-9-15-14(17(11-21)19(13)16)6-7-18(22)20(15)23/h4-7,17,22-23H,3,8-11H2,1-2H3/t17-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM86178
PNG
((+/-)-2-propyldinapsoline hydrobromide | Dinapsoli...)
Show SMILES CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3cccc(C1)c23
Show InChI InChI=1S/C19H21NO2/c1-2-8-20-10-13-5-3-4-12-9-15-14(16(11-20)18(12)13)6-7-17(21)19(15)22/h3-7,16,21-22H,2,8-11H2,1H3/t16-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM86177
PNG
(Dinapsoline,(+/-)-4-Methyl-N-allyl)
Show SMILES Cc1ccc2Cc3c(O)c(O)ccc3[C@@H]3CN(CC=C)Cc1c23
Show InChI InChI=1S/C20H21NO2/c1-3-8-21-10-16-12(2)4-5-13-9-15-14(17(11-21)19(13)16)6-7-18(22)20(15)23/h3-7,17,22-23H,1,8-11H2,2H3/t17-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(RAT)
BDBM50117181
PNG
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)
Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1
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5n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50049047
PNG
(5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10...)
Show SMILES Oc1cc2CCC3NCc4ccccc4C3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2
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5.5n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50117181
PNG
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)
Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50049047
PNG
(5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10...)
Show SMILES Oc1cc2CCC3NCc4ccccc4C3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2
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6.20n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86176
PNG
(Dihydrexidine, 4-methyl)
Show SMILES Cc1cccc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc12 |r|
Show InChI InChI=1S/C18H19NO2/c1-10-3-2-4-12-14(10)9-19-15-6-5-11-7-16(20)17(21)8-13(11)18(12)15/h2-4,7-8,15,18-21H,5-6,9H2,1H3/t15-,18-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(RAT)
BDBM86186
PNG
(Dinapsoline,(+/-)-6-Methyl)
Show SMILES Cc1ccc2CNC[C@H]3c4ccc(O)c(O)c4Cc1c23
Show InChI InChI=1S/C17H17NO2/c1-9-2-3-10-7-18-8-14-11-4-5-15(19)17(20)13(11)6-12(9)16(10)14/h2-5,14,18-20H,6-8H2,1H3/t14-/m0/s1
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8.10n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
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8.60n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM86181
PNG
(Dihydrexidine, N-propyl)
Show SMILES CCCN1Cc2ccccc2[C@@H]2[C@@H]1CCc1cc(O)c(O)cc21 |r|
Show InChI InChI=1S/C20H23NO2/c1-2-9-21-12-14-5-3-4-6-15(14)20-16-11-19(23)18(22)10-13(16)7-8-17(20)21/h3-6,10-11,17,20,22-23H,2,7-9,12H2,1H3/t17-,20-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86182
PNG
(Dihydrexidine, 4-methyl-N-propyl)
Show SMILES CCCN1Cc2c(C)cccc2[C@@H]2[C@@H]1CCc1cc(O)c(O)cc21 |r|
Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/t18-,21-/m0/s1
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9n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86186
PNG
(Dinapsoline,(+/-)-6-Methyl)
Show SMILES Cc1ccc2CNC[C@H]3c4ccc(O)c(O)c4Cc1c23
Show InChI InChI=1S/C17H17NO2/c1-9-2-3-10-7-18-8-14-11-4-5-15(19)17(20)13(11)6-12(9)16(10)14/h2-5,14,18-20H,6-8H2,1H3/t14-/m0/s1
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9.80n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50117181
PNG
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)
Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1
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10n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86186
PNG
(Dinapsoline,(+/-)-6-Methyl)
Show SMILES Cc1ccc2CNC[C@H]3c4ccc(O)c(O)c4Cc1c23
Show InChI InChI=1S/C17H17NO2/c1-9-2-3-10-7-18-8-14-11-4-5-15(19)17(20)13(11)6-12(9)16(10)14/h2-5,14,18-20H,6-8H2,1H3/t14-/m0/s1
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10n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86186
PNG
(Dinapsoline,(+/-)-6-Methyl)
Show SMILES Cc1ccc2CNC[C@H]3c4ccc(O)c(O)c4Cc1c23
Show InChI InChI=1S/C17H17NO2/c1-9-2-3-10-7-18-8-14-11-4-5-15(19)17(20)13(11)6-12(9)16(10)14/h2-5,14,18-20H,6-8H2,1H3/t14-/m0/s1
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11n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50117181
PNG
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)
Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1
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12.1n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50049047
PNG
(5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10...)
Show SMILES Oc1cc2CCC3NCc4ccccc4C3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2
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13n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM86185
PNG
(Dinapsoline,(+/-)-N-allyl)
Show SMILES Oc1ccc2[C@@H]3CN(CC=C)Cc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C19H19NO2/c1-2-8-20-10-13-5-3-4-12-9-15-14(16(11-20)18(12)13)6-7-17(21)19(15)22/h2-7,16,21-22H,1,8-11H2/t16-/m0/s1
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14n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(RAT)
BDBM50049047
PNG
(5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10...)
Show SMILES Oc1cc2CCC3NCc4ccccc4C3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2
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16n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM86178
PNG
((+/-)-2-propyldinapsoline hydrobromide | Dinapsoli...)
Show SMILES CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3cccc(C1)c23
Show InChI InChI=1S/C19H21NO2/c1-2-8-20-10-13-5-3-4-12-9-15-14(16(11-20)18(12)13)6-7-17(21)19(15)22/h3-7,16,21-22H,2,8-11H2,1H3/t16-/m0/s1
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17n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86176
PNG
(Dihydrexidine, 4-methyl)
Show SMILES Cc1cccc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc12 |r|
Show InChI InChI=1S/C18H19NO2/c1-10-3-2-4-12-14(10)9-19-15-6-5-11-7-16(20)17(21)8-13(11)18(12)15/h2-4,7-8,15,18-21H,5-6,9H2,1H3/t15-,18-/m0/s1
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18n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM86184
PNG
(Dinapsoline,(+/-)-4-Methyl)
Show SMILES Cc1ccc2Cc3c(O)c(O)ccc3[C@@H]3CNCc1c23
Show InChI InChI=1S/C17H17NO2/c1-9-2-3-10-6-12-11(4-5-15(19)17(12)20)14-8-18-7-13(9)16(10)14/h2-5,14,18-20H,6-8H2,1H3/t14-/m0/s1
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18n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50049047
PNG
(5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10...)
Show SMILES Oc1cc2CCC3NCc4ccccc4C3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2
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18n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86184
PNG
(Dinapsoline,(+/-)-4-Methyl)
Show SMILES Cc1ccc2Cc3c(O)c(O)ccc3[C@@H]3CNCc1c23
Show InChI InChI=1S/C17H17NO2/c1-9-2-3-10-6-12-11(4-5-15(19)17(12)20)14-8-18-7-13(9)16(10)14/h2-5,14,18-20H,6-8H2,1H3/t14-/m0/s1
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19n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
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20n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(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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20n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(RAT)
BDBM86184
PNG
(Dinapsoline,(+/-)-4-Methyl)
Show SMILES Cc1ccc2Cc3c(O)c(O)ccc3[C@@H]3CNCc1c23
Show InChI InChI=1S/C17H17NO2/c1-9-2-3-10-6-12-11(4-5-15(19)17(12)20)14-8-18-7-13(9)16(10)14/h2-5,14,18-20H,6-8H2,1H3/t14-/m0/s1
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20n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86183
PNG
(Dinapsoline,(+/-)-4-Methyl-N-propyl)
Show SMILES CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3ccc(C)c(C1)c23
Show InChI InChI=1S/C20H23NO2/c1-3-8-21-10-16-12(2)4-5-13-9-15-14(17(11-21)19(13)16)6-7-18(22)20(15)23/h4-7,17,22-23H,3,8-11H2,1-2H3/t17-/m0/s1
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21n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86183
PNG
(Dinapsoline,(+/-)-4-Methyl-N-propyl)
Show SMILES CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3ccc(C)c(C1)c23
Show InChI InChI=1S/C20H23NO2/c1-3-8-21-10-16-12(2)4-5-13-9-15-14(17(11-21)19(13)16)6-7-18(22)20(15)23/h4-7,17,22-23H,3,8-11H2,1-2H3/t17-/m0/s1
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23n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86185
PNG
(Dinapsoline,(+/-)-N-allyl)
Show SMILES Oc1ccc2[C@@H]3CN(CC=C)Cc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C19H19NO2/c1-2-8-20-10-13-5-3-4-12-9-15-14(16(11-20)18(12)13)6-7-17(21)19(15)22/h2-7,16,21-22H,1,8-11H2/t16-/m0/s1
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23n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86182
PNG
(Dihydrexidine, 4-methyl-N-propyl)
Show SMILES CCCN1Cc2c(C)cccc2[C@@H]2[C@@H]1CCc1cc(O)c(O)cc21 |r|
Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/t18-,21-/m0/s1
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23.4n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50049047
PNG
(5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10...)
Show SMILES Oc1cc2CCC3NCc4ccccc4C3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2
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24n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50117181
PNG
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)
Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1
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25n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86181
PNG
(Dihydrexidine, N-propyl)
Show SMILES CCCN1Cc2ccccc2[C@@H]2[C@@H]1CCc1cc(O)c(O)cc21 |r|
Show InChI InChI=1S/C20H23NO2/c1-2-9-21-12-14-5-3-4-6-15(14)20-16-11-19(23)18(22)10-13(16)7-8-17(20)21/h3-6,10-11,17,20,22-23H,2,7-9,12H2,1H3/t17-,20-/m0/s1
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25.7n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM86186
PNG
(Dinapsoline,(+/-)-6-Methyl)
Show SMILES Cc1ccc2CNC[C@H]3c4ccc(O)c(O)c4Cc1c23
Show InChI InChI=1S/C17H17NO2/c1-9-2-3-10-7-18-8-14-11-4-5-15(19)17(20)13(11)6-12(9)16(10)14/h2-5,14,18-20H,6-8H2,1H3/t14-/m0/s1
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28n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM86183
PNG
(Dinapsoline,(+/-)-4-Methyl-N-propyl)
Show SMILES CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3ccc(C)c(C1)c23
Show InChI InChI=1S/C20H23NO2/c1-3-8-21-10-16-12(2)4-5-13-9-15-14(17(11-21)19(13)16)6-7-18(22)20(15)23/h4-7,17,22-23H,3,8-11H2,1-2H3/t17-/m0/s1
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28n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86184
PNG
(Dinapsoline,(+/-)-4-Methyl)
Show SMILES Cc1ccc2Cc3c(O)c(O)ccc3[C@@H]3CNCc1c23
Show InChI InChI=1S/C17H17NO2/c1-9-2-3-10-6-12-11(4-5-15(19)17(12)20)14-8-18-7-13(9)16(10)14/h2-5,14,18-20H,6-8H2,1H3/t14-/m0/s1
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32n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50049047
PNG
(5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10...)
Show SMILES Oc1cc2CCC3NCc4ccccc4C3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2
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34n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86184
PNG
(Dinapsoline,(+/-)-4-Methyl)
Show SMILES Cc1ccc2Cc3c(O)c(O)ccc3[C@@H]3CNCc1c23
Show InChI InChI=1S/C17H17NO2/c1-9-2-3-10-6-12-11(4-5-15(19)17(12)20)14-8-18-7-13(9)16(10)14/h2-5,14,18-20H,6-8H2,1H3/t14-/m0/s1
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36n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86177
PNG
(Dinapsoline,(+/-)-4-Methyl-N-allyl)
Show SMILES Cc1ccc2Cc3c(O)c(O)ccc3[C@@H]3CN(CC=C)Cc1c23
Show InChI InChI=1S/C20H21NO2/c1-3-8-21-10-16-12(2)4-5-13-9-15-14(17(11-21)19(13)16)6-7-18(22)20(15)23/h3-7,17,22-23H,1,8-11H2,2H3/t17-/m0/s1
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36n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86178
PNG
((+/-)-2-propyldinapsoline hydrobromide | Dinapsoli...)
Show SMILES CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3cccc(C1)c23
Show InChI InChI=1S/C19H21NO2/c1-2-8-20-10-13-5-3-4-12-9-15-14(16(11-20)18(12)13)6-7-17(21)19(15)22/h3-7,16,21-22H,2,8-11H2,1H3/t16-/m0/s1
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39n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)


Article DOI: 10.1016/S0968-0896(02)00561-8
BindingDB Entry DOI: 10.7270/Q2CV4G90
More data for this
Ligand-Target Pair
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