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Compile Data Set for Download or QSAR

Found 297 hits of Enz. Inhib. data with enzyme = 'DOPAMINE' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DOPAMINE


(RAT)
BDBM86266
PNG
(MCL-204)
Show SMILES Cc1cccc(c1)C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C20H22BrNO2/c1-3-8-22-9-7-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-5-13(2)10-14/h3-6,10-11,17,23-24H,1,7-9,12H2,2H3
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0.110n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(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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0.120n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](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/t15-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Université Catholique de Louvain

Curated by PDSP Ki Database




Life Sci 37: 1971-83 (1985)


BindingDB Entry DOI: 10.7270/Q2HX1B5B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](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/t15-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](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/t15-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Karolinska Institutet

Curated by PDSP Ki Database




Psychopharmacology (Berl) 113: 149-56 (1993)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q29P3047
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM81778
PNG
(CAS_132421 | NNC-756 | NSC_132421)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc2CCOc12
Show InChI InChI=1S/C19H20ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
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0.170n/an/an/an/an/an/an/an/a



Karolinska Institutet

Curated by PDSP Ki Database




Psychopharmacology (Berl) 113: 149-56 (1993)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q29P3047
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM81778
PNG
(CAS_132421 | NNC-756 | NSC_132421)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc2CCOc12
Show InChI InChI=1S/C19H20ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
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0.170n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50010709
PNG
(5-Benzofuran-7-yl-8-chloro-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1cccc2ccoc12
Show InChI InChI=1S/C19H18ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,6,8-10,16,22H,5,7,11H2,1H3/t16-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86275
PNG
(MCL-203)
Show SMILES CN1CCc2c(Br)c(O)c(O)cc2[C@@H](C1)c1cccc(C)c1
Show InChI InChI=1S/C18H20BrNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3/t15-/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](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/t15-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Italia

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)


BindingDB Entry DOI: 10.7270/Q2Q52N48
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](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/t14-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




J Med Chem 39: 549-55 (1996)


Article DOI: 10.1021/jm950707+
BindingDB Entry DOI: 10.7270/Q2736PF6
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](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/t15-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by PDSP Ki Database




Life Sci 35: 1885-93 (1984)


BindingDB Entry DOI: 10.7270/Q2JD4V9M
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50026957
PNG
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)
Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+
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0.320n/an/an/an/an/an/an/an/a



Université Catholique de Louvain

Curated by PDSP Ki Database




Life Sci 37: 1971-83 (1985)


BindingDB Entry DOI: 10.7270/Q2HX1B5B
More data for this
Ligand-Target Pair
DOPAMINE


(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
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](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/t15-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 1166-78 (2002)


Article DOI: 10.1016/j.bioorg.2016.03.010
BindingDB Entry DOI: 10.7270/Q2V69H4V
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](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/t15-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Neuropsychopharmacology 20: 612-27 (1999)


Article DOI: 10.1016/S0893-133X(98)00099-2
BindingDB Entry DOI: 10.7270/Q2ZP44NW
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](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/t15-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1093-102 (1988)


BindingDB Entry DOI: 10.7270/Q2NK3CHS
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86276
PNG
(CAS_0 | MCL-207 | NSC_0)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1C
Show InChI InChI=1S/C18H20ClNO2/c1-11-5-3-4-6-12(11)15-10-20(2)8-7-13-14(15)9-16(21)18(22)17(13)19/h3-6,9,15,21-22H,7-8,10H2,1-2H3
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0.460n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86278
PNG
(MCL-202)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2[C@@H](C1)c1cccc(C)c1
Show InChI InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3/t15-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86277
PNG
(MCL-210)
Show SMILES Cc1cccc(c1)C1CN(CC=C)CCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C20H22ClNO2/c1-3-8-22-9-7-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-5-13(2)10-14/h3-6,10-11,17,23-24H,1,7-9,12H2,2H3
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0.520n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86269
PNG
(MCL-209)
Show SMILES Cc1cccc(c1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C17H18ClNO2/c1-10-3-2-4-11(7-10)14-9-19-6-5-12-13(14)8-15(20)17(21)16(12)18/h2-4,7-8,14,19-21H,5-6,9H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM81927
PNG
(CAS_60756-96-9 | Lu 12-331 | Pifluthixol)
Show SMILES OCCC1CCN(CC\C=C2\c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2/b19-2-
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0.630n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Psychopharmacology (Berl) 124: 57-73 (1996)


BindingDB Entry DOI: 10.7270/Q2610XV6
More data for this
Ligand-Target Pair
DOPAMINE


(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
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](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/t15-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Eur J Pharmacol 242: 165-72 (1993)


Article DOI: 10.1002/cbic.201402650
BindingDB Entry DOI: 10.7270/Q2DF6PQS
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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0.950n/an/an/an/an/an/an/an/a



Université Catholique de Louvain

Curated by PDSP Ki Database




Life Sci 37: 1971-83 (1985)


BindingDB Entry DOI: 10.7270/Q2HX1B5B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86267
PNG
(MCL-214)
Show SMILES CN1CCc2c(Br)c(O)c(O)cc2C(C1)c1ccccc1C
Show InChI InChI=1S/C18H20BrNO2/c1-11-5-3-4-6-12(11)15-10-20(2)8-7-13-14(15)9-16(21)18(22)17(13)19/h3-6,9,15,21-22H,7-8,10H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50274531
PNG
(6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-...)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1
Show InChI InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3
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1.18n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](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/t15-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Schizophr Res 37: 107-22 (1999)


BindingDB Entry DOI: 10.7270/Q23F4N5N
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86280
PNG
(MCL-216)
Show SMILES Cc1ccccc1C1CNCCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C17H18BrNO2/c1-10-4-2-3-5-11(10)14-9-19-7-6-12-13(14)8-15(20)17(21)16(12)18/h2-5,8,14,19-21H,6-7,9H2,1H3
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1.81n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86282
PNG
(6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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1.90n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86268
PNG
(MCL-206)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccc(C)cc1
Show InChI InChI=1S/C18H20ClNO2/c1-11-3-5-12(6-4-11)15-10-20(2)8-7-13-14(15)9-16(21)18(22)17(13)19/h3-6,9,15,21-22H,7-8,10H2,1-2H3
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1.93n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(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
DOPAMINE


(RAT)
BDBM50004919
PNG
((R)(+)-BrAPB | CHEMBL286424 | S-(-)-6-Br-APD3-Ally...)
Show SMILES Oc1cc2[C@@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m0/s1
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2.29n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(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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2.30n/an/an/an/an/an/an/an/a



Karolinska Institutet

Curated by PDSP Ki Database




CNS Drug Rev 10: 230-42 (2004)


BindingDB Entry DOI: 10.7270/Q2Z89B0M
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM81490
PNG
(CAS_60197-32-2 | CIS PIFLUTIXOL | NSC_68714 | Pifl...)
Show SMILES OCCC1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2
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2.90n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by PDSP Ki Database




Life Sci 35: 1885-93 (1984)


BindingDB Entry DOI: 10.7270/Q2JD4V9M
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50004823
PNG
((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1093-102 (1988)


BindingDB Entry DOI: 10.7270/Q2NK3CHS
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50026957
PNG
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)
Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+
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4.30n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by PDSP Ki Database




Life Sci 35: 1885-93 (1984)


BindingDB Entry DOI: 10.7270/Q2JD4V9M
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86270
PNG
(MCL-205)
Show SMILES Cc1cccc(c1)C1CNCCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C17H18BrNO2/c1-10-3-2-4-11(7-10)14-9-19-6-5-12-13(14)8-15(20)17(21)16(12)18/h2-4,7-8,14,19-21H,5-6,9H2,1H3
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4.41n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM78433
PNG
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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4.5n/an/an/an/an/an/an/an/a



Université Catholique de Louvain

Curated by PDSP Ki Database




Life Sci 37: 1971-83 (1985)


BindingDB Entry DOI: 10.7270/Q2HX1B5B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50004917
PNG
(3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2
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4.56n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(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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4.59n/an/an/an/an/an/an/an/a



Karolinska Institutet

Curated by PDSP Ki Database




CNS Drug Rev 10: 230-42 (2004)


BindingDB Entry DOI: 10.7270/Q2Z89B0M
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM84994
PNG
(CAS_163091 | NSC_163091 | ORG-5222)
Show SMILES CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3
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5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 14: 87-96 (1996)


Article DOI: 10.1016/0893-133X(94)00129-N
BindingDB Entry DOI: 10.7270/Q2445K1M
More data for this
Ligand-Target Pair
DOPAMINE


(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
DOPAMINE


(RAT)
BDBM81779
PNG
(CAS_164252 | NNC-687 | NSC_164252)
Show SMILES CN1CCc2cc(c(O)cc2C(C1)c1cccc2CCOc12)[N+]([O-])=O
Show InChI InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
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5.80n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM81779
PNG
(CAS_164252 | NNC-687 | NSC_164252)
Show SMILES CN1CCc2cc(c(O)cc2C(C1)c1cccc2CCOc12)[N+]([O-])=O
Show InChI InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
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5.80n/an/an/an/an/an/an/an/a



Karolinska Institutet

Curated by PDSP Ki Database




Psychopharmacology (Berl) 113: 149-56 (1993)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q29P3047
More data for this
Ligand-Target Pair
DOPAMINE


(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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5.93n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




J Med Chem 39: 549-55 (1996)


Article DOI: 10.1021/jm950707+
BindingDB Entry DOI: 10.7270/Q2736PF6
More data for this
Ligand-Target Pair
DOPAMINE


(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
DOPAMINE


(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



Karolinska Institutet

Curated by PDSP Ki Database




CNS Drug Rev 10: 230-42 (2004)


BindingDB Entry DOI: 10.7270/Q2Z89B0M
More data for this
Ligand-Target Pair
DOPAMINE


(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
DOPAMINE


(RAT)
BDBM86176
PNG
(Dihydrexidine, 4-methyl)
Show SMILES Cc1cccc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc12
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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PubMed
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
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