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Compile Data Set for Download or QSAR

Found 402 hits of ic50 for UniProtKB: P18901   
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


(RAT)
BDBM79172
PNG
(2-[4-[(3Z)-3-[2-(trifluoromethyl)-9-thioxanthenyli...)
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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n/an/a 0.300n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vivo binding affinity of the compound against dopamine (D1) receptor in rat caudate-putamen tissue using [3H]-SCH-23,390 as radioligand


Bioorg Med Chem Lett 13: 4015-7 (2003)


BindingDB Entry DOI: 10.7270/Q27M07BC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029385
PNG
((4R,5R)-8-Chloro-3,4,5-trimethyl-5-phenyl-2,3,4,5-...)
Show SMILES C[C@H]1N(C)CCc2cc(Cl)c(O)cc2[C@@]1(C)c1ccccc1
Show InChI InChI=1S/C19H22ClNO/c1-13-19(2,15-7-5-4-6-8-15)16-12-18(22)17(20)11-14(16)9-10-21(13)3/h4-8,11-13,22H,9-10H2,1-3H3/t13-,19-/m1/s1
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n/an/a 0.370n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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 |r|
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/a 0.570n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand


J Med Chem 38: 318-27 (1995)


BindingDB Entry DOI: 10.7270/Q2057DZH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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 |r|
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/a 0.660n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029378
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C22H26ClFN2/c1-22(2)14-26(11-10-25(22)3)21-13-19(15-4-7-17(24)8-5-15)18-9-6-16(23)12-20(18)21/h4-9,12,19,21H,10-11,13-14H2,1-3H3
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n/an/a 0.680n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029370
PNG
(4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C22H26F2N2/c1-22(2)14-26(11-10-25(22)3)21-13-19(15-4-6-16(23)7-5-15)18-9-8-17(24)12-20(18)21/h4-9,12,19,21H,10-11,13-14H2,1-3H3
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n/an/a 0.710n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029370
PNG
(4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C22H26F2N2/c1-22(2)14-26(11-10-25(22)3)21-13-19(15-4-6-16(23)7-5-15)18-9-8-17(24)12-20(18)21/h4-9,12,19,21H,10-11,13-14H2,1-3H3
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n/an/a 0.710n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029387
PNG
(4-(6-Chloro-3-thiophen-3-yl-indan-1-yl)-1,2,2-trim...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccsc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H25ClN2S/c1-20(2)13-23(8-7-22(20)3)19-11-17(14-6-9-24-12-14)16-5-4-15(21)10-18(16)19/h4-6,9-10,12,17,19H,7-8,11,13H2,1-3H3
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n/an/a 0.760n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029375
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1-isop...)
Show SMILES CC(C)N1CCN(CC1(C)C)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C24H30ClFN2/c1-16(2)28-12-11-27(15-24(28,3)4)23-14-21(17-5-8-19(26)9-6-17)20-10-7-18(25)13-22(20)23/h5-10,13,16,21,23H,11-12,14-15H2,1-4H3
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n/an/a 0.820n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029375
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1-isop...)
Show SMILES CC(C)N1CCN(CC1(C)C)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C24H30ClFN2/c1-16(2)28-12-11-27(15-24(28,3)4)23-14-21(17-5-8-19(26)9-6-17)20-10-7-18(25)13-22(20)23/h5-10,13,16,21,23H,11-12,14-15H2,1-4H3
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n/an/a 0.820n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029377
PNG
(1-(6-Chloro-3-thiophen-3-yl-indan-1-yl)-3,3-dimeth...)
Show SMILES CC1(C)CN(CCN1)C1CC(c2ccsc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2S/c1-19(2)12-22(7-6-21-19)18-10-16(13-5-8-23-11-13)15-4-3-14(20)9-17(15)18/h3-5,8-9,11,16,18,21H,6-7,10,12H2,1-2H3
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n/an/a 0.840n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029382
PNG
(9-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-6-meth...)
Show SMILES CN1CCN(CC11CCCC1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C24H28ClFN2/c1-27-12-13-28(16-24(27)10-2-3-11-24)23-15-21(17-4-7-19(26)8-5-17)20-9-6-18(25)14-22(20)23/h4-9,14,21,23H,2-3,10-13,15-16H2,1H3
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n/an/a 0.850n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029395
PNG
(8-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-5-meth...)
Show SMILES CN1CCN(CC11CCC1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C23H26ClFN2/c1-26-11-12-27(15-23(26)9-2-10-23)22-14-20(16-3-6-18(25)7-4-16)19-8-5-17(24)13-21(19)22/h3-8,13,20,22H,2,9-12,14-15H2,1H3
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n/an/a 0.890n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029383
PNG
(2-{9-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-6,9...)
Show SMILES OCCN1CCN(CC11CCCC1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C25H30ClFN2O/c26-19-5-8-21-22(18-3-6-20(27)7-4-18)16-24(23(21)15-19)28-11-12-29(13-14-30)25(17-28)9-1-2-10-25/h3-8,15,22,24,30H,1-2,9-14,16-17H2
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n/an/a 1n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029384
PNG
(2-{4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-2,2...)
Show SMILES CC1(C)CN(CCN1CCO)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C23H28ClFN2O/c1-23(2)15-26(9-10-27(23)11-12-28)22-14-20(16-3-6-18(25)7-4-16)19-8-5-17(24)13-21(19)22/h3-8,13,20,22,28H,9-12,14-15H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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 |r|
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/a 1n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]- #NAME? from binding Dopamine receptor D1 in rat striatum


J Med Chem 33: 1756-64 (1990)


BindingDB Entry DOI: 10.7270/Q23X877X
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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 |r|
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/a 1.01n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested for its affinity towards Dopamine receptor D1 in rat striatal membrane


J Med Chem 37: 2453-60 (1994)


BindingDB Entry DOI: 10.7270/Q2KS6QKD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029400
PNG
(3-{4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-2,2...)
Show SMILES CC1(C)CN(CCN1CCCO)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C24H30ClFN2O/c1-24(2)16-27(11-12-28(24)10-3-13-29)23-15-21(17-4-7-19(26)8-5-17)20-9-6-18(25)14-22(20)23/h4-9,14,21,23,29H,3,10-13,15-16H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50012961
PNG
((-)-(S)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-hydro...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)ccc1OC
Show InChI InChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vivo binding affinity of the compound against dopamine (D1) receptor in rat caudate-putamen tissue using [3H]-SCH-23,390 as radioligand


Bioorg Med Chem Lett 13: 4015-7 (2003)


BindingDB Entry DOI: 10.7270/Q27M07BC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007567
PNG
(1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...)
Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


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


J Med Chem 34: 2023-30 (1991)


BindingDB Entry DOI: 10.7270/Q2KD1WVC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007567
PNG
(1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...)
Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Ability to displace [3H]-SCH- 23390 (0.2 nM) from corpus striatum of rat Dopamine receptor D1


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029378
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C22H26ClFN2/c1-22(2)14-26(11-10-25(22)3)21-13-19(15-4-7-17(24)8-5-15)18-9-6-16(23)12-20(18)21/h4-9,12,19,21H,10-11,13-14H2,1-3H3
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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 |r|
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/a 1.30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Dopamine receptor D1 by [3H]-SCH-23,390 displacement.


J Med Chem 33: 600-7 (1990)


BindingDB Entry DOI: 10.7270/Q2XS5TCP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029377
PNG
(1-(6-Chloro-3-thiophen-3-yl-indan-1-yl)-3,3-dimeth...)
Show SMILES CC1(C)CN(CCN1)C1CC(c2ccsc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2S/c1-19(2)12-22(7-6-21-19)18-10-16(13-5-8-23-11-13)15-4-3-14(20)9-17(15)18/h3-5,8-9,11,16,18,21H,6-7,10,12H2,1-2H3
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029408
PNG
(4-[3-(4-Fluoro-phenyl)-6-trifluoromethyl-indan-1-y...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C23H26F4N2/c1-22(2)14-29(11-10-28(22)3)21-13-19(15-4-7-17(24)8-5-15)18-9-6-16(12-20(18)21)23(25,26)27/h4-9,12,19,21H,10-11,13-14H2,1-3H3
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029369
PNG
(4-(6-Chloro-3-phenyl-indan-1-yl)-1,2,2-trimethyl-p...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(Cl)cc12)c1ccccc1
Show InChI InChI=1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3
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n/an/a 1.60n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029390
PNG
(4-[6-Bromo-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-t...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(Br)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C22H26BrFN2/c1-22(2)14-26(11-10-25(22)3)21-13-19(15-4-7-17(24)8-5-15)18-9-6-16(23)12-20(18)21/h4-9,12,19,21H,10-11,13-14H2,1-3H3
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029393
PNG
(4-[3-(4-Fluoro-phenyl)-6-methyl-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(C)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C23H29FN2/c1-16-5-10-19-20(17-6-8-18(24)9-7-17)14-22(21(19)13-16)26-12-11-25(4)23(2,3)15-26/h5-10,13,20,22H,11-12,14-15H2,1-4H3
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n/an/a 2.10n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029371
PNG
(1-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-3,3-di...)
Show SMILES CC1(C)CN(CCN1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24ClFN2/c1-21(2)13-25(10-9-24-21)20-12-18(14-3-6-16(23)7-4-14)17-8-5-15(22)11-19(17)20/h3-8,11,18,20,24H,9-10,12-13H2,1-2H3
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029394
PNG
(2-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-octahy...)
Show SMILES Fc1ccc(cc1)C1CC(N2CCN3CCCCC3C2)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H26ClFN2/c24-17-6-9-20-21(16-4-7-18(25)8-5-16)14-23(22(20)13-17)27-12-11-26-10-2-1-3-19(26)15-27/h4-9,13,19,21,23H,1-3,10-12,14-15H2
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50287046
PNG
(8-Chloro-5-(3-isothiocyanato-phenyl)-3-methyl-2,3,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(c1)N=C=S
Show InChI InChI=1S/C18H17ClN2OS/c1-21-6-5-13-8-17(19)18(22)9-15(13)16(10-21)12-3-2-4-14(7-12)20-11-23/h2-4,7-9,16,22H,5-6,10H2,1H3
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n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against dopamine Dopamine receptor D1 using 1 nM [3H]-SCH-23,390 as the radioligand.


Bioorg Med Chem Lett 6: 1139-1144 (1996)


Article DOI: 10.1016/0960-894X(96)00186-2
BindingDB Entry DOI: 10.7270/Q2BP02R9
More data for this
Ligand-Target Pair
D(1A) 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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n/an/a 2.15n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand


J Med Chem 38: 318-27 (1995)


BindingDB Entry DOI: 10.7270/Q2057DZH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


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


J Med Chem 34: 2023-30 (1991)


BindingDB Entry DOI: 10.7270/Q2KD1WVC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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H. Lundbeck A/S

Curated by ChEMBL


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


J Med Chem 34: 2023-30 (1991)


BindingDB Entry DOI: 10.7270/Q2KD1WVC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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University of Lund

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes


J Med Chem 36: 2878-85 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6WVF
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Ability to displace [3H]-SCH- 23390 (0.2 nM) from corpus striatum of rat Dopamine receptor D1


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029392
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2-di...)
Show SMILES CC1CN(CCN1C)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24ClFN2/c1-14-13-25(10-9-24(14)2)21-12-19(15-3-6-17(23)7-4-15)18-8-5-16(22)11-20(18)21/h3-8,11,14,19,21H,9-10,12-13H2,1-2H3
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029389
PNG
(1-[3-(4-Fluoro-phenyl)-6-trifluoromethyl-indan-1-y...)
Show SMILES CC1(C)CN(CCN1)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C22H24F4N2/c1-21(2)13-28(10-9-27-21)20-12-18(14-3-6-16(23)7-4-14)17-8-5-15(11-19(17)20)22(24,25)26/h3-8,11,18,20,27H,9-10,12-13H2,1-2H3
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029374
PNG
(4-[3-(4-Fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN2/c1-22(2)15-25(13-12-24(22)3)21-14-20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)21/h4-11,20-21H,12-15H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50202337
PNG
((S)-3-iodo-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrah...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(I)c(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H20INO4/c1-21-5-4-10-15-12(21)6-9-7-13(22)14(24-2)8-11(9)16(15)19(25-3)18(23)17(10)20/h7-8,12,22-23H,4-6H2,1-3H3/t12-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in Wistar rat striatal membrane


J Nat Prod 63: 480-4 (2000)


BindingDB Entry DOI: 10.7270/Q2Z037W0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029368
PNG
(4-[7-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2cccc(F)c12)c1ccc(F)cc1
Show InChI InChI=1S/C22H26F2N2/c1-22(2)14-26(12-11-25(22)3)20-13-18(15-7-9-16(23)10-8-15)17-5-4-6-19(24)21(17)20/h4-10,18,20H,11-14H2,1-3H3
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n/an/a 3.80n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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 |r|
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/a 4.30n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Relative affinity for Dopamine receptor D1 in striatum using [3H]SCH-23390


J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
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/a 4.30n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


J Med Chem 35: 1466-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4GCW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029405
PNG
(4-[6-Chloro-3-(2-fluoro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(Cl)cc12)c1ccccc1F
Show InChI InChI=1S/C22H26ClFN2/c1-22(2)14-26(11-10-25(22)3)21-13-18(17-6-4-5-7-20(17)24)16-9-8-15(23)12-19(16)21/h4-9,12,18,21H,10-11,13-14H2,1-3H3
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n/an/a 4.40n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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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n/an/a 5.10n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


J Med Chem 35: 1466-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4GCW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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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n/an/a 5.60n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested for its affinity towards Dopamine receptor D1 in rat striatal membrane


J Med Chem 37: 2453-60 (1994)


BindingDB Entry DOI: 10.7270/Q2KS6QKD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029386
PNG
(1-[3-(4-Fluoro-phenyl)-6-methyl-indan-1-yl]-3,3-di...)
Show SMILES Cc1ccc2C(CC(N3CCNC(C)(C)C3)c2c1)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN2/c1-15-4-9-18-19(16-5-7-17(23)8-6-16)13-21(20(18)12-15)25-11-10-24-22(2,3)14-25/h4-9,12,19,21,24H,10-11,13-14H2,1-3H3
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n/an/a 5.90n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029379
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1-meth...)
Show SMILES CN1CCN(CC11CCCCC1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C25H30ClFN2/c1-28-13-14-29(17-25(28)11-3-2-4-12-25)24-16-22(18-5-8-20(27)9-6-18)21-10-7-19(26)15-23(21)24/h5-10,15,22,24H,2-4,11-14,16-17H2,1H3
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n/an/a 6n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029382
PNG
(9-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-6-meth...)
Show SMILES CN1CCN(CC11CCCC1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C24H28ClFN2/c1-27-12-13-28(16-24(27)10-2-3-11-24)23-15-21(17-4-7-19(26)8-5-17)20-9-6-18(25)14-22(20)23/h4-9,14,21,23H,2-3,10-13,15-16H2,1H3
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n/an/a 6.60n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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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n/an/a 7.15n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand


J Med Chem 38: 318-27 (1995)


BindingDB Entry DOI: 10.7270/Q2057DZH
More data for this
Ligand-Target Pair
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