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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with Target = 'Dopamine D1B' 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
Dopamine D1B


(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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0.110n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1B


(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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0.470n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(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)

More data for this
Ligand-Target Pair
Dopamine D1B


(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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2n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1B


(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)

More data for this
Ligand-Target Pair
Dopamine D1B


(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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6n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1B


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



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1B


(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)

More data for this
Ligand-Target Pair
Dopamine D1B


(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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10n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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11n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
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/t14-,17-/m1/s1
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16n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from rat dopamine D5 receptor expressed in CHO cells by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(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)

More data for this
Ligand-Target Pair
Dopamine D1B


(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)

More data for this
Ligand-Target Pair
Dopamine D1B


(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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35n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM81485
PNG
(CAS_68751 | CIS TEFLUTIXOL | NSC_68751 | Teflutixo...)
Show SMILES OCCN1CCN(CCCC2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C23H26F4N2OS/c24-17-4-5-19-18(2-1-7-28-8-10-29(11-9-28)12-13-30)20-14-16(23(25,26)27)3-6-21(20)31-22(19)15-17/h3-6,14-15,18,30H,1-2,7-13H2
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37n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1B


(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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80n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)

More data for this
Ligand-Target Pair
Dopamine D1B


(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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100n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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240n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50166031
PNG
(CHEMBL427173 | Naphthalene-2-carboxylic acid [(S)-...)
Show SMILES O=C(NCCCCN1CCN2[C@@H](CCc3ccccc23)C1)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H31N3O/c31-27(24-12-11-21-7-1-2-9-23(21)19-24)28-15-5-6-16-29-17-18-30-25(20-29)14-13-22-8-3-4-10-26(22)30/h1-4,7-12,19,25H,5-6,13-18,20H2,(H,28,31)/t25-/m0/s1
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258n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(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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290n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50040241
PNG
(3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2ccccc12
Show InChI InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3
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510n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50119380
PNG
(CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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636n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(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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690n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50162869
PNG
(CHEMBL179757 | N-(4-(1,2,4,4a,5,6-hexahydropyrazin...)
Show SMILES O=C(NCCCCN1CCN2C(CCc3ccccc23)C1)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H31N3O/c31-27(24-12-11-21-7-1-2-9-23(21)19-24)28-15-5-6-16-29-17-18-30-25(20-29)14-13-22-8-3-4-10-26(22)30/h1-4,7-12,19,25H,5-6,13-18,20H2,(H,28,31)
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791n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50133928
PNG
(1-(4-Fluoro-phenyl)-4-(1,2,4,4a,5,6-hexahydro-pyra...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2C(CCc3ccccc23)C1
Show InChI InChI=1S/C22H25FN2O/c23-19-10-7-18(8-11-19)22(26)6-3-13-24-14-15-25-20(16-24)12-9-17-4-1-2-5-21(17)25/h1-2,4-5,7-8,10-11,20H,3,6,9,12-16H2
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904n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM81777
PNG
(CAS_132-66-1 | NPA | NPA,(+) | NPA,(-) | NSC_8594)
Show SMILES OC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
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1.05E+3n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1B


(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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PubMed
1.20E+3n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(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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1.50E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50166019
PNG
(CHEMBL191815 | Naphthalene-2-carboxylic acid [(R)-...)
Show SMILES O=C(NCCCCN1CCN2[C@H](CCc3ccccc23)C1)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H31N3O/c31-27(24-12-11-21-7-1-2-9-23(21)19-24)28-15-5-6-16-29-17-18-30-25(20-29)14-13-22-8-3-4-10-26(22)30/h1-4,7-12,19,25H,5-6,13-18,20H2,(H,28,31)/t25-/m1/s1
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PubMed
1.71E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50166022
PNG
(CHEMBL426629 | Naphthalene-2-carboxylic acid [4-((...)
Show SMILES COc1cccc2CC[C@H]3CN(CCCCNC(=O)c4ccc5ccccc5c4)CCN3c12
Show InChI InChI=1S/C28H33N3O2/c1-33-26-10-6-9-22-13-14-25-20-30(17-18-31(25)27(22)26)16-5-4-15-29-28(32)24-12-11-21-7-2-3-8-23(21)19-24/h2-3,6-12,19,25H,4-5,13-18,20H2,1H3,(H,29,32)/t25-/m0/s1
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PubMed
1.96E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(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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2.40E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




Bioorg Med Chem 11: 1451-64 (2003)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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2.60E+3n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50166028
PNG
(CHEMBL434532 | Naphthalene-2-carboxylic acid [4-((...)
Show SMILES COc1cccc2N3CCN(CCCCNC(=O)c4ccc5ccccc5c4)C[C@H]3CCc12
Show InChI InChI=1S/C28H33N3O2/c1-33-27-10-6-9-26-25(27)14-13-24-20-30(17-18-31(24)26)16-5-4-15-29-28(32)23-12-11-21-7-2-3-8-22(21)19-23/h2-3,6-12,19,24H,4-5,13-18,20H2,1H3,(H,29,32)/t24-/m1/s1
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PubMed
2.71E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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3.90E+3n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50166023
PNG
(CHEMBL192439 | Naphthalene-2-carboxylic acid [4-((...)
Show SMILES COc1ccc2CC[C@H]3CN(CCCCNC(=O)c4ccc5ccccc5c4)CCN3c2c1
Show InChI InChI=1S/C28H33N3O2/c1-33-26-13-11-22-10-12-25-20-30(16-17-31(25)27(22)19-26)15-5-4-14-29-28(32)24-9-8-21-6-2-3-7-23(21)18-24/h2-3,6-9,11,13,18-19,25H,4-5,10,12,14-17,20H2,1H3,(H,29,32)/t25-/m0/s1
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4.33E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50029257
PNG
((3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3
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>5.00E+3n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D5 (rat clone)


J Med Chem 37: 1060-2 (1994)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50166030
PNG
(CHEMBL371200 | Naphthalene-2-carboxylic acid [4-((...)
Show SMILES COc1cccc2N3CCN(CCCCNC(=O)c4ccc5ccccc5c4)C[C@@H]3CCc12
Show InChI InChI=1S/C28H33N3O2/c1-33-27-10-6-9-26-25(27)14-13-24-20-30(17-18-31(24)26)16-5-4-15-29-28(32)23-12-11-21-7-2-3-8-22(21)19-23/h2-3,6-12,19,24H,4-5,13-18,20H2,1H3,(H,29,32)/t24-/m0/s1
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PubMed
6.86E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50166029
PNG
(CHEMBL192650 | Naphthalene-2-carboxylic acid [4-((...)
Show SMILES COc1cccc2CC[C@@H]3CN(CCCCNC(=O)c4ccc5ccccc5c4)CCN3c12
Show InChI InChI=1S/C28H33N3O2/c1-33-26-10-6-9-22-13-14-25-20-30(17-18-31(25)27(22)26)16-5-4-15-29-28(32)24-12-11-21-7-2-3-8-23(21)19-24/h2-3,6-12,19,25H,4-5,13-18,20H2,1H3,(H,29,32)/t25-/m1/s1
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7.59E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50099887
PNG
(3-[4-(2-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-16-5-1-2-6-17(16)23-10-8-22(9-11-23)13-14-12-21-18-15(14)4-3-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat D5 receptor measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50099890
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat D5 receptor measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat D5 receptor measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50099894
PNG
(3-[4-(4-Propyl-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C21H26N4/c1-2-4-17-6-8-19(9-7-17)25-13-11-24(12-14-25)16-18-15-23-21-20(18)5-3-10-22-21/h3,5-10,15H,2,4,11-14,16H2,1H3,(H,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat D5 receptor measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50099891
PNG
(3-[4-(4-Trifluoromethyl-phenyl)-piperazin-1-ylmeth...)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat D5 receptor measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50075360
PNG
(3-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat D5 receptor measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat D5 receptor measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50099889
PNG
(3-[4-(4-Vinyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat D5 receptor measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat D5 receptor measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50099893
PNG
(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat D5 receptor measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50099892
PNG
(3-[4-(4-Methylsulfanyl-phenyl)-piperazin-1-ylmethy...)
Show SMILES CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4S/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat D5 receptor measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine D1B


(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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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
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