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Compile Data Set for Download or QSAR

Found 33 hits of kd data for polymerid = 6461   
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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50016003
PNG
(CHEMBL150800 | R-[5-(4-Azido-phenyl)-8-iodo-3-meth...)
Show SMILES CN1CCc2cc(I)c(O)cc2[C@@H](C1)c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C17H17IN4O/c1-22-7-6-12-8-16(18)17(23)9-14(12)15(10-22)11-2-4-13(5-3-11)20-21-19/h2-5,8-9,15,23H,6-7,10H2,1H3/t15-/m0/s1
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n/an/an/a 0.280n/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-SCH- 23390 binding to Dopamine receptor D1 of canine striatal membranes


J Med Chem 33: 521-6 (1990)


Article DOI: 10.1021/jm00164a009
BindingDB Entry DOI: 10.7270/Q22J69VZ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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n/an/an/a 28n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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n/an/an/a 150n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50022817
PNG
(5-(4-Azido-phenyl)-8-iodo-3-methyl-2,3,4,5-tetrahy...)
Show SMILES CN1CCc2cc(I)c(O)cc2C(C1)c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C17H17IN4O/c1-22-7-6-12-8-16(18)17(23)9-14(12)15(10-22)11-2-4-13(5-3-11)20-21-19/h2-5,8-9,15,23H,6-7,10H2,1H3
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n/an/an/a 150n/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-SCH- 23390 to canine striatal membrane


J Med Chem 31: 2069-71 (1988)


Article DOI: 10.1021/jm00119a003
BindingDB Entry DOI: 10.7270/Q2B56K9S
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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n/an/an/a 380n/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-SCH- 23390 to canine striatal membrane


J Med Chem 31: 2069-71 (1988)


Article DOI: 10.1021/jm00119a003
BindingDB Entry DOI: 10.7270/Q2B56K9S
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004921
PNG
((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...)
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-/m1/s1
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n/an/an/a 384n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50214401
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C35H41FN6O4/c1-19(2)31(34(45)39-27(14-20-9-11-23(36)12-10-20)35(46)42-13-5-8-28(42)32(37)43)40-33(44)22-15-25-24-6-4-7-26-30(24)21(17-38-26)16-29(25)41(3)18-22/h4,6-7,9-12,15,17,19,22,27-29,31,38H,5,8,13-14,16,18H2,1-3H3,(H2,37,43)(H,39,45)(H,40,44)/t22-,27+,28+,29-,31+/m1/s1
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n/an/an/a 600n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor in lamb striatum membrane after 1 hr


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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n/an/an/a 680n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50214408
PNG
((6aR,9S)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C35H41N7O6/c1-19(2)31(39-33(44)22-15-25-24-6-4-7-26-30(24)21(17-37-26)16-29(25)40(3)18-22)34(45)38-27(14-20-9-11-23(12-10-20)42(47)48)35(46)41-13-5-8-28(41)32(36)43/h4,6-7,9-12,15,17,19,22,27-29,31,37H,5,8,13-14,16,18H2,1-3H3,(H2,36,43)(H,38,45)(H,39,44)/t22-,27-,28-,29+,31-/m0/s1
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Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor in lamb striatum membrane after 1 hr


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50214403
PNG
((6aR,9R)-N-((S)-1-((S)-1-(3-carbamoylpiperidin-1-y...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC(C1)C(N)=O
Show InChI InChI=1S/C40H42FN7O6/c1-46-21-27(18-31-30-5-2-6-32-36(30)26(20-43-32)19-35(31)46)38(50)44-33(16-24-9-13-29(14-10-24)48(53)54)39(51)45-34(17-23-7-11-28(41)12-8-23)40(52)47-15-3-4-25(22-47)37(42)49/h2,5-14,18,20,25,27,33-35,43H,3-4,15-17,19,21-22H2,1H3,(H2,42,49)(H,44,50)(H,45,51)/t25?,27-,33+,34+,35-/m1/s1
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Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor in lamb striatum membrane after 1 hr


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50083555
PNG
(CHEMBL3423404)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C37H51N7O5/c1-2-3-9-30(42-35(47)24-14-17-32-33-27(18-20-44(32)22-24)26-8-4-5-10-28(26)40-33)36(48)43-31(21-23-12-15-25(45)16-13-23)37(49)41-29(34(39)46)11-6-7-19-38/h4-5,8,10,12-13,15-16,24,29-32,40,45H,2-3,6-7,9,11,14,17-22,38H2,1H3,(H2,39,46)(H,41,49)(H,42,47)(H,43,48)/t24-,29-,30-,31-,32+/m0/s1
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n/an/an/a 1.20E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50214407
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC1CCCCC1)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C36H50N6O4/c1-21(2)32(36(46)42-16-8-13-29(42)33(37)43)40-35(45)28(15-14-22-9-5-4-6-10-22)39-34(44)24-17-26-25-11-7-12-27-31(25)23(19-38-27)18-30(26)41(3)20-24/h7,11-12,17,19,21-22,24,28-30,32,38H,4-6,8-10,13-16,18,20H2,1-3H3,(H2,37,43)(H,39,44)(H,40,45)/t24-,28+,29+,30-,32+/m1/s1
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n/an/an/a 1.20E+3n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor in lamb striatum membrane after 1 hr


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50083550
PNG
(CHEMBL3423407)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/m0/s1
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n/an/an/a 1.30E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50083540
PNG
(CHEMBL3423410)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1S/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36+/m0/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50083510
PNG
(CHEMBL3423411)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1S/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33+,34+,35+,36-/m1/s1
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n/an/an/a 1.60E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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n/an/an/a 1.82E+3n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50049796
PNG
((S)-6-Chloro-7,8-dihydroxy-1-(4-hydroxy-phenyl)-2,...)
Show SMILES Oc1ccc(cc1)[C@@H]1C[NH2+]CCc2c(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/p+1/t13-/m0/s1
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n/an/an/a 1.82E+3n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50083551
PNG
(CHEMBL3423406)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C39H52N8O4/c1-2-3-12-32(45-37(49)24-16-17-34-35-28(18-20-47(34)23-24)27-11-5-7-14-30(27)43-35)38(50)46-33(21-25-22-42-29-13-6-4-10-26(25)29)39(51)44-31(36(41)48)15-8-9-19-40/h4-7,10-11,13-14,22,24,31-34,42-43H,2-3,8-9,12,15-21,23,40H2,1H3,(H2,41,48)(H,44,51)(H,45,49)(H,46,50)/t24-,31-,32-,33-,34+/m0/s1
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n/an/an/a 1.90E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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n/an/an/a 2.50E+3n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50083509
PNG
(CHEMBL3423402)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1S/C44H59N9O5/c45-21-8-7-15-35(41(46)55)50-43(57)36(25-29-26-48-33-13-5-3-11-30(29)33)51-44(58)38-16-10-23-53(38)39(54)17-2-1-9-22-47-42(56)28-18-19-37-40-32(20-24-52(37)27-28)31-12-4-6-14-34(31)49-40/h3-6,11-14,26,28,35-38,48-49H,1-2,7-10,15-25,27,45H2,(H2,46,55)(H,47,56)(H,50,57)(H,51,58)/t28-,35-,36-,37+,38-/m0/s1
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n/an/an/a 2.90E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50083544
PNG
(CHEMBL3423409)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C43H61FN8O5/c1-2-3-12-35(42(56)51-36(26-28-16-19-30(44)20-17-28)43(57)50-34(40(46)54)14-8-9-23-45)48-38(53)15-5-4-10-24-47-41(55)29-18-21-37-39-32(22-25-52(37)27-29)31-11-6-7-13-33(31)49-39/h6-7,11,13,16-17,19-20,29,34-37,49H,2-5,8-10,12,14-15,18,21-27,45H2,1H3,(H2,46,54)(H,47,55)(H,48,53)(H,50,57)(H,51,56)/t29-,34-,35-,36-,37+/m0/s1
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n/an/an/a 3.30E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50083554
PNG
(CHEMBL3423405)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1S/C44H59N9O5/c1-2-3-13-35(43(57)51-36(22-28-24-48-33-14-8-6-11-30(28)33)44(58)53-26-29(45)23-38(53)41(46)55)49-39(54)16-5-4-10-20-47-42(56)27-17-18-37-40-32(19-21-52(37)25-27)31-12-7-9-15-34(31)50-40/h6-9,11-12,14-15,24,27,29,35-38,48,50H,2-5,10,13,16-23,25-26,45H2,1H3,(H2,46,55)(H,47,56)(H,49,54)(H,51,57)/t27-,29-,35-,36-,37+,38-/m0/s1
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n/an/an/a 3.40E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50083546
PNG
(CHEMBL3423408)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1S/C42H57FN8O5/c1-2-3-10-33(41(55)49-34(22-26-13-16-28(43)17-14-26)42(56)51-25-29(44)23-36(51)39(45)53)47-37(52)12-5-4-8-20-46-40(54)27-15-18-35-38-31(19-21-50(35)24-27)30-9-6-7-11-32(30)48-38/h6-7,9,11,13-14,16-17,27,29,33-36,48H,2-5,8,10,12,15,18-25,44H2,1H3,(H2,45,53)(H,46,54)(H,47,52)(H,49,55)/t27-,29-,33-,34-,35+,36-/m0/s1
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n/an/an/a 4.00E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50025206
PNG
((6,7-Dihydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES C[NH+](C)C1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C12H17NO2/c1-13(2)10-4-3-8-6-11(14)12(15)7-9(8)5-10/h6-7,10,14-15H,3-5H2,1-2H3/p+1
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n/an/an/a 4.60E+3n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50214405
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C35H41N7O6/c1-19(2)31(39-33(44)22-15-25-24-6-4-7-26-30(24)21(17-37-26)16-29(25)40(3)18-22)34(45)38-27(14-20-9-11-23(12-10-20)42(47)48)35(46)41-13-5-8-28(41)32(36)43/h4,6-7,9-12,15,17,19,22,27-29,31,37H,5,8,13-14,16,18H2,1-3H3,(H2,36,43)(H,38,45)(H,39,44)/t22-,27+,28+,29-,31+/m1/s1
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n/an/an/a 7.80E+3n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor in lamb striatum membrane after 1 hr


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/a 9.69E+3n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50083558
PNG
(CHEMBL3423403)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1S/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36-/m0/s1
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n/an/an/a 1.50E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50083540
PNG
(CHEMBL3423410)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1S/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36+/m0/s1
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n/an/an/a 2.40E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant afte...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50083560
PNG
(CHEMBL3423400)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1S/C36H46FN7O4/c1-2-3-7-28(41-34(46)22-11-14-30-32-26(15-16-43(30)19-22)25-6-4-5-8-27(25)40-32)35(47)42-29(17-21-9-12-23(37)13-10-21)36(48)44-20-24(38)18-31(44)33(39)45/h4-6,8-10,12-13,22,24,28-31,40H,2-3,7,11,14-20,38H2,1H3,(H2,39,45)(H,41,46)(H,42,47)/t22-,24-,28-,29-,30-,31-/m0/s1
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n/an/an/a 2.70E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50083510
PNG
(CHEMBL3423411)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1S/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33+,34+,35+,36-/m1/s1
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n/an/an/a 3.00E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant afte...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50083559
PNG
(CHEMBL3423401)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C43H62N8O6/c1-2-3-12-35(42(56)50-36(26-28-16-19-30(52)20-17-28)43(57)49-34(40(45)54)14-8-9-23-44)47-38(53)15-5-4-10-24-46-41(55)29-18-21-37-39-32(22-25-51(37)27-29)31-11-6-7-13-33(31)48-39/h6-7,11,13,16-17,19-20,29,34-37,48,52H,2-5,8-10,12,14-15,18,21-27,44H2,1H3,(H2,45,54)(H,46,55)(H,47,53)(H,49,57)(H,50,56)/t29-,34-,35-,36-,37-/m0/s1
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n/an/an/a 3.80E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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n/an/an/a 5.00E+4n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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n/an/an/a 5.50E+4n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair