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Compile Data Set for Download or QSAR

Found 2595 hits with Last Name = 'thompson' and Initial = 'd'   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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0.0270n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human dopamine D3 receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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0.0760n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132080
PNG
(Biphenyl-4-carboxylic acid {4-[4-(2-methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H33N3O2/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)25-15-13-24(14-16-25)23-9-3-2-4-10-23/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32)
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0.220n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120502
PNG
(2-Amino-N-[(R)-2-(3a-benzyl-2-tert-butyl-3-oxo-2,3...)
Show SMILES CC(C)(C)N1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N
Show InChI InChI=1S/C31H39F2N5O4/c1-29(2,3)38-28(41)31(16-20-9-7-6-8-10-20)19-37(14-13-25(31)36-38)26(39)24(35-27(40)30(4,5)34)18-42-17-21-11-12-22(32)23(33)15-21/h6-12,15,24H,13-14,16-19,34H2,1-5H3,(H,35,40)/t24-,31?/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00734-5
BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human adrenergic beta2 receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120504
PNG
(2-Amino-N-[(R)-2-[3a-benzyl-3-oxo-2-(2,2,2-trifluo...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)C2(Cc2ccccc2)C1
Show InChI InChI=1S/C29H32F5N5O4/c1-27(2,35)25(41)36-22(15-43-14-19-8-9-20(30)21(31)12-19)24(40)38-11-10-23-28(16-38,13-18-6-4-3-5-7-18)26(42)39(37-23)17-29(32,33)34/h3-9,12,22H,10-11,13-17,35H2,1-2H3,(H,36,41)/t22-,28?/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00734-5
BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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0.520n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human adrenergic beta1 receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341511
PNG
(CHEMBL1765632 | N-(4-(4-Phenylbenzoylamino)butyl)-...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1Cc2cnn3cccc(C1)c23
Show InChI InChI=1S/C30H34N4O/c1-2-17-33(28-20-26-11-8-19-34-29(26)27(21-28)22-32-34)18-7-6-16-31-30(35)25-14-12-24(13-15-25)23-9-4-3-5-10-23/h3-5,8-15,19,22,28H,2,6-7,16-18,20-21H2,1H3,(H,31,35)
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0.550n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341509
PNG
(CHEMBL1765630 | N-(4-(4-Phenylbenzoylamino)butyl)-...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCn2ncc(Cl)c2C1
Show InChI InChI=1S/C27H33ClN4O/c1-2-16-31(24-14-18-32-26(19-24)25(28)20-30-32)17-7-6-15-29-27(33)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h3-5,8-13,20,24H,2,6-7,14-19H2,1H3,(H,29,33)
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0.590n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136685
PNG
(CHEMBL337822 | [3-Furan-2-yl-3-(naphthalen-1-yloxy...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccco1
Show InChI InChI=1S/C18H19NO2/c1-19-12-11-18(17-10-5-13-20-17)21-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,18-19H,11-12H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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0.710n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50357938
PNG
(CHEMBL1916551)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)C2Cc3ccccc3C2)nn1
Show InChI InChI=1S/C33H47N5O3/c1-4-6-20-38-25-29(35-36-38)14-11-21-41-31-16-15-28(24-32(31)40-3)33(39)34-17-9-10-19-37(18-5-2)30-22-26-12-7-8-13-27(26)23-30/h7-8,12-13,15-16,24-25,30H,4-6,9-11,14,17-23H2,1-3H3,(H,34,39)
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0.710n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the reuptake of 5-HT at human serotonin transporter


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132080
PNG
(Biphenyl-4-carboxylic acid {4-[4-(2-methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H33N3O2/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)25-15-13-24(14-16-25)23-9-3-2-4-10-23/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32)
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0.900n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136672
PNG
(CHEMBL342716 | [3-(4-Fluoro-phenyl)-3-(naphthalen-...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H20FNO/c1-22-14-13-19(16-9-11-17(21)12-10-16)23-20-8-4-6-15-5-2-3-7-18(15)20/h2-12,19,22H,13-14H2,1H3
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0.950n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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1n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human dopamine D2long receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341517
PNG
(CHEMBL1765638 | N-(4-((2,3-dihydro-1H-inden-2-yl)(...)
Show SMILES CCCN(CCCCNC(=O)c1ccccc1-c1ccccc1)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H34N2O/c1-2-19-31(26-21-24-14-6-7-15-25(24)22-26)20-11-10-18-30-29(32)28-17-9-8-16-27(28)23-12-4-3-5-13-23/h3-9,12-17,26H,2,10-11,18-22H2,1H3,(H,30,32)
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1n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50391923
PNG
(CHEMBL2147566)
Show SMILES CC(C)(CO)NC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C30H34FN3O3/c1-28(2,19-35)33-27(36)25-7-5-4-6-20(25)12-14-30(37)15-13-22-16-26-21(17-29(22,30)3)18-32-34(26)24-10-8-23(31)9-11-24/h4-11,16,18,35,37H,12-15,17,19H2,1-3H3,(H,33,36)/t29-,30-/m0/s1
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells


Bioorg Med Chem 19: 7374-86 (2011)


Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50391916
PNG
(CHEMBL2147556)
Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@@]2(O)CCc1ccccc1C(=O)NCC=C)-c1ccc(F)cc1
Show InChI InChI=1S/C29H30FN3O2/c1-3-16-31-27(34)25-7-5-4-6-20(25)12-14-29(35)15-13-22-17-26-21(18-28(22,29)2)19-32-33(26)24-10-8-23(30)9-11-24/h3-11,17,19,35H,1,12-16,18H2,2H3,(H,31,34)/t28-,29-/m0/s1
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells


Bioorg Med Chem 19: 7374-86 (2011)


Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136683
PNG
(CHEMBL142028 | Methyl-[3-(naphthalen-1-yloxy)-3-th...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccsc1
Show InChI InChI=1S/C18H19NOS/c1-19-11-9-17(15-10-12-21-13-15)20-18-8-4-6-14-5-2-3-7-16(14)18/h2-8,10,12-13,17,19H,9,11H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.10n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 short receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50357935
PNG
(CHEMBL1916548)
Show SMILES CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(CN5CCN(CC5)c5ccccc5OC)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C61H84N10O6/c1-5-31-68(54-42-49-20-10-11-21-50(49)43-54)32-17-14-30-62-61(72)51-27-29-58(60(44-51)75-4)77-40-19-23-53-47-71(66-64-53)34-16-9-7-6-8-15-33-70-46-52(63-65-70)22-18-39-76-57-28-26-48(41-59(57)74-3)45-67-35-37-69(38-36-67)55-24-12-13-25-56(55)73-2/h10-13,20-21,24-29,41,44,46-47,54H,5-9,14-19,22-23,30-40,42-43,45H2,1-4H3,(H,62,72)
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1.20n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50220910
PNG
((S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...)
Show SMILES O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368159
PNG
(CHEMBL315056 | CHEMBL610402)
Show SMILES C[C@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H22ClN5O4/c1-10(7-11-5-3-2-4-6-11)22-16-13-17(24-19(20)23-16)25(9-21-13)18-15(28)14(27)12(8-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H,22,23,24)/t10-,12-,14-,15-,18?/m1/s1
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1.40n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.5n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human DRD2 Long receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50357940
PNG
(CHEMBL1916549)
Show SMILES CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(cc4OC)C(=O)NCCCCN(CCC)C4Cc5ccccc5C4)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C66H92N10O6/c1-5-35-73(59-43-51-23-11-12-24-52(51)44-59)37-19-15-33-67-65(77)55-29-31-61(63(47-55)79-3)81-41-21-27-57-49-75(71-69-57)39-17-9-7-8-10-18-40-76-50-58(70-72-76)28-22-42-82-62-32-30-56(48-64(62)80-4)66(78)68-34-16-20-38-74(36-6-2)60-45-53-25-13-14-26-54(53)46-60/h11-14,23-26,29-32,47-50,59-60H,5-10,15-22,27-28,33-46H2,1-4H3,(H,67,77)(H,68,78)
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1.80n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136679
PNG
(CHEMBL141741 | Methyl-[3-(naphthalen-1-yloxy)-3-o-...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccccc1C
Show InChI InChI=1S/C21H23NO/c1-16-8-3-5-11-18(16)21(14-15-22-2)23-20-13-7-10-17-9-4-6-12-19(17)20/h3-13,21-22H,14-15H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50391913
PNG
(CHEMBL2147553)
Show SMILES CNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C27H28FN3O2/c1-26-16-19-17-30-31(22-9-7-21(28)8-10-22)24(19)15-20(26)12-14-27(26,33)13-11-18-5-3-4-6-23(18)25(32)29-2/h3-10,15,17,33H,11-14,16H2,1-2H3,(H,29,32)/t26-,27-/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells


Bioorg Med Chem 19: 7374-86 (2011)


Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50357936
PNG
(CHEMBL1916720)
Show SMILES CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(cc4OC)C(=O)NCCCCN4CCN(CC4)c4ccccc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C65H91N11O7/c1-5-34-73(57-45-51-22-10-11-23-52(51)46-57)36-19-15-33-67-65(78)54-29-31-61(63(48-54)81-4)83-44-21-25-56-50-76(71-69-56)38-17-9-7-6-8-16-37-75-49-55(68-70-75)24-20-43-82-60-30-28-53(47-62(60)80-3)64(77)66-32-14-18-35-72-39-41-74(42-40-72)58-26-12-13-27-59(58)79-2/h10-13,22-23,26-31,47-50,57H,5-9,14-21,24-25,32-46H2,1-4H3,(H,66,77)(H,67,78)
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2n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50391920
PNG
(CHEMBL2147562)
Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@@]2(O)CCc1ccccc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C26H26FN3O2/c1-25-15-18-16-29-30(21-8-6-20(27)7-9-21)23(18)14-19(25)11-13-26(25,32)12-10-17-4-2-3-5-22(17)24(28)31/h2-9,14,16,32H,10-13,15H2,1H3,(H2,28,31)/t25-,26-/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells


Bioorg Med Chem 19: 7374-86 (2011)


Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50391919
PNG
(CHEMBL2147561)
Show SMILES CCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C28H30FN3O2/c1-3-30-26(33)24-7-5-4-6-19(24)12-14-28(34)15-13-21-16-25-20(17-27(21,28)2)18-31-32(25)23-10-8-22(29)9-11-23/h4-11,16,18,34H,3,12-15,17H2,1-2H3,(H,30,33)/t27-,28-/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells


Bioorg Med Chem 19: 7374-86 (2011)


Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50391917
PNG
(CHEMBL2147557)
Show SMILES CCCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C29H32FN3O2/c1-3-16-31-27(34)25-7-5-4-6-20(25)12-14-29(35)15-13-22-17-26-21(18-28(22,29)2)19-32-33(26)24-10-8-23(30)9-11-24/h4-11,17,19,35H,3,12-16,18H2,1-2H3,(H,31,34)/t28-,29-/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells


Bioorg Med Chem 19: 7374-86 (2011)


Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50357937
PNG
(CHEMBL1916552)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCN(CC2)c2ccccc2OC)nn1
Show InChI InChI=1S/C32H46N6O4/c1-4-5-18-38-25-27(34-35-38)11-10-23-42-30-15-14-26(24-31(30)41-3)32(39)33-16-8-9-17-36-19-21-37(22-20-36)28-12-6-7-13-29(28)40-2/h6-7,12-15,24-25H,4-5,8-11,16-23H2,1-3H3,(H,33,39)
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2n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay


J Med Chem 54: 7911-9 (2011)


Article DOI: 10.1021/jm2009919
BindingDB Entry DOI: 10.7270/Q2CC113Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136689
PNG
(CHEMBL141114 | Methyl-[3-(naphthalen-1-yloxy)-3-p-...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccc(C)cc1
Show InChI InChI=1S/C21H23NO/c1-16-10-12-18(13-11-16)20(14-15-22-2)23-21-9-5-7-17-6-3-4-8-19(17)21/h3-13,20,22H,14-15H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136690
PNG
(CHEMBL337791 | [3-(3-Methoxy-phenyl)-3-(naphthalen...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccc(OC)c1
Show InChI InChI=1S/C21H23NO2/c1-22-14-13-20(17-9-5-10-18(15-17)23-2)24-21-12-6-8-16-7-3-4-11-19(16)21/h3-12,15,20,22H,13-14H2,1-2H3
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2.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136691
PNG
(CHEMBL139106 | [3-(2-Methoxy-phenyl)-3-(naphthalen...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccccc1OC
Show InChI InChI=1S/C21H23NO2/c1-22-15-14-21(18-11-5-6-12-19(18)23-2)24-20-13-7-9-16-8-3-4-10-17(16)20/h3-13,21-22H,14-15H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50220910
PNG
((S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...)
Show SMILES O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human adrenergic beta1 receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136682
PNG
(CHEMBL141681 | Methyl-[3-(naphthalen-1-yloxy)-3-ph...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H21NO/c1-21-15-14-19(17-9-3-2-4-10-17)22-20-13-7-11-16-8-5-6-12-18(16)20/h2-13,19,21H,14-15H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50341516
PNG
(CHEMBL1765637 | N-[(N'-Indan-2-yl-N'-propyl)-4-ami...)
Show SMILES CCCN(CCCCNC(=O)Cc1ccccc1)C1Cc2ccccc2C1
Show InChI InChI=1S/C24H32N2O/c1-2-15-26(23-18-21-12-6-7-13-22(21)19-23)16-9-8-14-25-24(27)17-20-10-4-3-5-11-20/h3-7,10-13,23H,2,8-9,14-19H2,1H3,(H,25,27)
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2.70n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50391925
PNG
(CHEMBL2147569)
Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@@]2(O)CCc1ccc(F)cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F2N3O2/c1-25-14-17-15-30-31(21-6-4-19(27)5-7-21)23(17)12-18(25)9-11-26(25,33)10-8-16-2-3-20(28)13-22(16)24(29)32/h2-7,12-13,15,33H,8-11,14H2,1H3,(H2,29,32)/t25-,26-/m0/s1
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells


Bioorg Med Chem 19: 7374-86 (2011)


Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50391924
PNG
(CHEMBL2147567)
Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@@]2(O)CCc1cccc(F)c1C(=O)NC1(CO)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H31F2N3O3/c1-28-16-20-17-33-35(23-7-5-22(31)6-8-23)25(20)15-21(28)10-12-30(28,38)11-9-19-3-2-4-24(32)26(19)27(37)34-29(18-36)13-14-29/h2-8,15,17,36,38H,9-14,16,18H2,1H3,(H,34,37)/t28-,30-/m0/s1
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells


Bioorg Med Chem 19: 7374-86 (2011)


Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136686
PNG
(CHEMBL415244 | [3-(4-Methoxy-phenyl)-3-(naphthalen...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccc(OC)cc1
Show InChI InChI=1S/C21H23NO2/c1-22-15-14-20(17-10-12-18(23-2)13-11-17)24-21-9-5-7-16-6-3-4-8-19(16)21/h3-13,20,22H,14-15H2,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50220914
PNG
(1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan-2-o...)
Show SMILES OC(CNC1CCCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2
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3.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136688
PNG
(CHEMBL139245 | [3-(4-Chloro-phenyl)-3-(naphthalen-...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClNO/c1-22-14-13-19(16-9-11-17(21)12-10-16)23-20-8-4-6-15-5-2-3-7-18(15)20/h2-12,19,22H,13-14H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50220910
PNG
((S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...)
Show SMILES O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human adrenergic beta2 receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
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