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Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50004869   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(1A) dopamine receptor


(RAT)
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)
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)
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)
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)
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)
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 1.30n/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 1.40n/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)
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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n/an/a 1.5n/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)
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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n/an/a 1.80n/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)
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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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)
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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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)
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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n/an/a 2.40n/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)
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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n/an/a 2.80n/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)
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)
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)
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)
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)
BDBM50029376
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-2,2-di...)
Show SMILES CCC1(CC)CN(CCN1C)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C24H30ClFN2/c1-4-24(5-2)16-28(13-12-27(24)3)23-15-21(17-6-9-19(26)10-7-17)20-11-8-18(25)14-22(20)23/h6-11,14,21,23H,4-5,12-13,15-16H2,1-3H3
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n/an/a 8.80n/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)
BDBM50453947
PNG
(CHEMBL2111937)
Show SMILES CN1CCN(CC1)C1CC(c2cc(Cl)ccc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22ClFN2/c1-23-8-10-24(11-9-23)20-13-18(14-2-5-16(22)6-3-14)19-12-15(21)4-7-17(19)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 9.5n/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)
BDBM50029407
PNG
(4-[6-Chloro-3-(3-fluoro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(Cl)cc12)c1cccc(F)c1
Show InChI InChI=1S/C22H26ClFN2/c1-22(2)14-26(10-9-25(22)3)21-13-19(15-5-4-6-17(24)11-15)18-8-7-16(23)12-20(18)21/h4-8,11-12,19,21H,9-10,13-14H2,1-3H3
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n/an/a 9.60n/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)
BDBM50029396
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,6-...)
Show SMILES CC1CN(CC(C)N1C)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C22H26ClFN2/c1-14-12-26(13-15(2)25(14)3)22-11-20(16-4-7-18(24)8-5-16)19-9-6-17(23)10-21(19)22/h4-10,14-15,20,22H,11-13H2,1-3H3
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n/an/a 13n/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)
BDBM50029380
PNG
(1,2,2-Trimethyl-4-(3-phenyl-indan-1-yl)-piperazine...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H28N2/c1-22(2)16-24(14-13-23(22)3)21-15-20(17-9-5-4-6-10-17)18-11-7-8-12-19(18)21/h4-12,20-21H,13-16H2,1-3H3
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n/an/a 13n/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)
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 15n/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)
BDBM50026951
PNG
((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...)
Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2
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n/an/a 16n/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)
BDBM50029372
PNG
(1-(6-Chloro-3-phenyl-indan-1-yl)-4-methyl-piperazi...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(Cl)cc12)c1ccccc1
Show InChI InChI=1S/C20H23ClN2/c1-22-9-11-23(12-10-22)20-14-18(15-5-3-2-4-6-15)17-8-7-16(21)13-19(17)20/h2-8,13,18,20H,9-12,14H2,1H3
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n/an/a 16n/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)
BDBM50029373
PNG
(1-[3-(4-Fluoro-phenyl)-6-trifluoromethyl-indan-1-y...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C21H22F4N2/c1-26-8-10-27(11-9-26)20-13-18(14-2-5-16(22)6-3-14)17-7-4-15(12-19(17)20)21(23,24)25/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 17n/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)
BDBM50029409
PNG
(1-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-2,4,5-...)
Show SMILES CC1CN(C2CC(c3ccc(Cl)cc23)c2ccc(F)cc2)C(C)CN1C
Show InChI InChI=1S/C22H26ClFN2/c1-14-13-26(15(2)12-25(14)3)22-11-20(16-4-7-18(24)8-5-16)19-9-6-17(23)10-21(19)22/h4-10,14-15,20,22H,11-13H2,1-3H3
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n/an/a 19n/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)
BDBM50002012
PNG
((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...)
Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C22H24F4N2O/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20/h1-6,13,19,21,29H,7-12,14H2
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n/an/a 23n/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)
BDBM50029398
PNG
(4-[7-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2cccc(Cl)c12)c1ccc(F)cc1
Show InChI InChI=1S/C22H26ClFN2/c1-22(2)14-26(12-11-25(22)3)20-13-18(15-7-9-16(24)10-8-15)17-5-4-6-19(23)21(17)20/h4-10,18,20H,11-14H2,1-3H3
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n/an/a 32n/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)
BDBM50029401
PNG
(4-[6-Chloro-3-(4-chloro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(Cl)cc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26Cl2N2/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 34n/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)
BDBM50029381
PNG
(4-[5-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2cc(Cl)ccc12)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)20-12-16(23)6-9-18(20)21/h4-9,12,19,21H,10-11,13-14H2,1-3H3
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n/an/a 37n/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)
BDBM50029410
PNG
(1-[3-(4-Fluoro-phenyl)-6-methyl-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(C)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H25FN2/c1-15-3-8-18-19(16-4-6-17(22)7-5-16)14-21(20(18)13-15)24-11-9-23(2)10-12-24/h3-8,13,19,21H,9-12,14H2,1-2H3
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n/an/a 38n/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)
BDBM50029403
PNG
(2-{4-[3-(4-Fluoro-phenyl)-6-methylsulfanyl-indan-1...)
Show SMILES CSc1ccc2C(CC(N3CCN(CCO)CC3)c2c1)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN2OS/c1-27-18-6-7-19-20(16-2-4-17(23)5-3-16)15-22(21(19)14-18)25-10-8-24(9-11-25)12-13-26/h2-7,14,20,22,26H,8-13,15H2,1H3
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n/an/a 39n/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)
BDBM50029397
PNG
(4-[4-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2c1cccc2Cl)c1ccc(F)cc1
Show InChI InChI=1S/C22H26ClFN2/c1-22(2)14-26(12-11-25(22)3)20-13-18(15-7-9-16(24)10-8-15)21-17(20)5-4-6-19(21)23/h4-10,18,20H,11-14H2,1-3H3
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n/an/a 45n/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 51n/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)
BDBM50026962
PNG
(2-{4-[3-(4-Fluoro-phenyl)-6-methyl-indan-1-yl]-pip...)
Show SMILES Cc1ccc2C(CC(N3CCN(CCO)CC3)c2c1)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN2O/c1-16-2-7-19-20(17-3-5-18(23)6-4-17)15-22(21(19)14-16)25-10-8-24(9-11-25)12-13-26/h2-7,14,20,22,26H,8-13,15H2,1H3
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n/an/a 51n/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)
BDBM50029404
PNG
(2-{4-[3-(4-Fluoro-phenyl)-6-isopropyl-indan-1-yl]-...)
Show SMILES CC(C)c1ccc2C(CC(N3CCN(CCO)CC3)c2c1)c1ccc(F)cc1
Show InChI InChI=1S/C24H31FN2O/c1-17(2)19-5-8-21-22(18-3-6-20(25)7-4-18)16-24(23(21)15-19)27-11-9-26(10-12-27)13-14-28/h3-8,15,17,22,24,28H,9-14,16H2,1-2H3
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n/an/a 66n/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)
BDBM50029402
PNG
(2-{4-[7-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-pip...)
Show SMILES OCCN1CCN(CC1)C1CC(c2cccc(Cl)c12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24ClFN2O/c22-19-3-1-2-17-18(15-4-6-16(23)7-5-15)14-20(21(17)19)25-10-8-24(9-11-25)12-13-26/h1-7,18,20,26H,8-14H2
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n/an/a 130n/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
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