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Compile Data Set for Download or QSAR

Found 227 hits with Last Name = 'schlotter' and Initial = 'k'   
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))		BDBM50188475
PNG
((R)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H39N3O2/c1-37-31-7-3-2-6-30(31)35-22-20-34(21-23-35)19-5-4-18-33-32(36)29-24-27-13-12-25-8-10-26(11-9-25)14-16-28(29)17-15-27/h2-3,6-11,15,17,24H,4-5,12-14,16,18-23H2,1H3,(H,33,36)
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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 D3 receptor expressed in CHO cells

J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119386
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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 0.230n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50167934
PNG
(CHEMBL191962 | N-{4-[4-(2-methoxyphenyl)piperazin-...)
Show SMILES [Ru]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C21H24N3O2.C5H.Ru/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-17H2,1H3,(H,22,25);1H;
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 0.370n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50188476
PNG
(CHEMBL209876 | N-4-[4-(3-chloro-2-methoxyphenyl)pi...)
Show SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H38ClN3O2/c1-38-31-29(33)5-4-6-30(31)36-21-19-35(20-22-36)18-3-2-17-34-32(37)28-23-26-12-11-24-7-9-25(10-8-24)13-15-27(28)16-14-26/h4-10,14,16,23H,2-3,11-13,15,17-22H2,1H3,(H,34,37)
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 0.460n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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

J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50167931
PNG
(CHEMBL364516 | N-{4-[4-(2-methoxyphenyl)piperazin-...)
Show SMILES [Fe]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C21H24N3O2.C5H.Fe/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-17H2,1H3,(H,22,25);1H;
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 0.5n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity towards porcine serotonin receptor 5-HT1A using [3H]8-OH-DPAT

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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 0.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50167931
PNG
(CHEMBL364516 | N-{4-[4-(2-methoxyphenyl)piperazin-...)
Show SMILES [Fe]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C21H24N3O2.C5H.Fe/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-17H2,1H3,(H,22,25);1H;
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 0.520n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119383
PNG
(Benzo[b]tellurophene-2-carboxylic acid {4-[4-(2,3-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)C3=Cc4ccccc4[Te]3)CC2)c1Cl |t:17|
Show InChI InChI=1S/C23H25Cl2N3OTe/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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 0.550n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50167933
PNG
(CHEMBL370297 | N-{4-[4-(2,3-dichlorophenyl)piperaz...)
Show SMILES [Ru]123456789C%10=C1C2C3=C4%10.Clc1c(Cl)c(ccc1)N1CCN(CC1)CCCCNC(C51C6=C7C8=C91)=O |c:1,7,35,39,(.22,-2.99,;-.23,-4.26,;-.88,-5.18,;-1.96,-4.82,;-1.96,-3.7,;-.89,-3.35,;19.91,.72,;18.57,1.49,;17.23,.72,;17.23,-.83,;15.9,1.49,;15.9,3.03,;17.23,3.8,;18.57,3.03,;14.55,.72,;14.57,-.83,;13.22,-1.59,;11.89,-.8,;11.89,.74,;13.22,1.5,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C20H20Cl2N3O.C5H.Ru/c21-17-8-5-9-18(19(17)22)25-14-12-24(13-15-25)11-4-3-10-23-20(26)16-6-1-2-7-16;1-2-4-5-3-1;/h5,8-9H,3-4,10-15H2,(H,23,26);1H;
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 0.600n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50167937
PNG
(CHEMBL194555 | N-{4-[4-(2,3-dichlorophenyl)piperaz...)
Show SMILES [Fe]123456789C%10=C1C2C3=C4%10.Clc1c(Cl)c(ccc1)N1CCN(CC1)CCCCNC(C51C6=C7C8=C91)=O |c:1,7,35,39,(.22,-2.99,;-.23,-4.26,;-.88,-5.18,;-1.96,-4.82,;-1.96,-3.7,;-.89,-3.35,;19.91,.72,;18.57,1.49,;17.23,.72,;17.23,-.83,;15.9,1.49,;15.9,3.03,;17.23,3.8,;18.57,3.03,;14.55,.72,;14.57,-.83,;13.22,-1.59,;11.89,-.8,;11.89,.74,;13.22,1.5,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C20H20Cl2N3O.C5H.Fe/c21-17-8-5-9-18(19(17)22)25-14-12-24(13-15-25)11-4-3-10-23-20(26)16-6-1-2-7-16;1-2-4-5-3-1;/h5,8-9H,3-4,10-15H2,(H,23,26);1H;
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 0.630n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50119392
PNG
(CHEMBL141845 | N-(2-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C21H25N5O2/c1-28-20-8-3-2-7-19(20)25-14-12-24(13-15-25)11-9-22-21(27)17-16-23-26-10-5-4-6-18(17)26/h2-8,10,16H,9,11-15H2,1H3,(H,22,27)
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 0.670n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119376
PNG
(Benzo[b]tellurophene-2-carboxylic acid {4-[4-(2-me...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C2=Cc3ccccc3[Te]2)CC1 |t:20|
Show InChI InChI=1S/C24H29N3O2Te/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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 0.680n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50167933
PNG
(CHEMBL370297 | N-{4-[4-(2,3-dichlorophenyl)piperaz...)
Show SMILES [Ru]123456789C%10=C1C2C3=C4%10.Clc1c(Cl)c(ccc1)N1CCN(CC1)CCCCNC(C51C6=C7C8=C91)=O |c:1,7,35,39,(.22,-2.99,;-.23,-4.26,;-.88,-5.18,;-1.96,-4.82,;-1.96,-3.7,;-.89,-3.35,;19.91,.72,;18.57,1.49,;17.23,.72,;17.23,-.83,;15.9,1.49,;15.9,3.03,;17.23,3.8,;18.57,3.03,;14.55,.72,;14.57,-.83,;13.22,-1.59,;11.89,-.8,;11.89,.74,;13.22,1.5,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C20H20Cl2N3O.C5H.Ru/c21-17-8-5-9-18(19(17)22)25-14-12-24(13-15-25)11-4-3-10-23-20(26)16-6-1-2-7-16;1-2-4-5-3-1;/h5,8-9H,3-4,10-15H2,(H,23,26);1H;
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 0.840n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50167935
PNG
(CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...)
Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)|
Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;
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 0.910n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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 1.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119380
PNG
(CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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 1.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119380
PNG
(CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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 1.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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

J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119380
PNG
(CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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 1.40n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119384
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2,3-dichloro-p...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O2/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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 1.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50188474
PNG
(CHEMBL426863 | N-[4-[4-(2,3-difluorophenyl)piperaz...)
Show SMILES Fc1cccc(N2CCN(CCCCNC(=O)c3cc4CCc5ccc(CCc3cc4)cc5)CC2)c1F
Show InChI InChI=1S/C31H35F2N3O/c32-28-4-3-5-29(30(28)33)36-20-18-35(19-21-36)17-2-1-16-34-31(37)27-22-25-11-10-23-6-8-24(9-7-23)12-14-26(27)15-13-25/h3-9,13,15,22H,1-2,10-12,14,16-21H2,(H,34,37)
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 1.90n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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

J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50167930
PNG
(2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0...)
Show SMILES [Fe]123456789C%10=C1C2=C3C4%10CC(=O)NCCCCN1CCN(c2c(cccc2)OC)CC1.C51=C6C7C8=C91 |c:1,5,35,41,(-2.12,-1.46,;.2,-1.15,;-.88,-1.51,;-1.56,-.59,;-.89,.33,;.2,-.01,;1.53,.75,;2.86,-.02,;2.86,-1.58,;4.2,.76,;5.54,-.01,;6.88,.77,;8.22,.02,;9.55,.79,;10.89,.02,;10.9,-1.53,;12.24,-2.29,;13.57,-1.51,;14.91,-2.28,;16.24,-1.51,;17.58,-2.28,;17.58,-3.82,;16.24,-4.59,;14.91,-3.82,;16.24,.04,;17.58,.81,;13.58,.02,;12.22,.8,;-2.57,-2.75,;-3.22,-3.66,;-4.3,-3.31,;-4.3,-2.18,;-3.23,-1.82,)|
Show InChI InChI=1S/C22H26N3O2.C5H.Fe/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)13-7-6-12-23-22(26)18-19-8-2-3-9-19;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-18H2,1H3,(H,23,26);1H;
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 2n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119385
PNG
(CHEMBL342060 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccn3nccc3c2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-7-3-2-6-21(22)27-16-14-26(15-17-27)12-5-4-10-24-23(29)19-9-13-28-20(18-19)8-11-25-28/h2-3,6-9,11,13,18H,4-5,10,12,14-17H2,1H3,(H,24,29)
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 2.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50188475
PNG
((R)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H39N3O2/c1-37-31-7-3-2-6-30(31)35-22-20-34(21-23-35)19-5-4-18-33-32(36)29-24-27-13-12-25-8-10-26(11-9-25)14-16-28(29)17-15-27/h2-3,6-11,15,17,24H,4-5,12-14,16,18-23H2,1H3,(H,33,36)
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 3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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

J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50167930
PNG
(2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0...)
Show SMILES [Fe]123456789C%10=C1C2=C3C4%10CC(=O)NCCCCN1CCN(c2c(cccc2)OC)CC1.C51=C6C7C8=C91 |c:1,5,35,41,(-2.12,-1.46,;.2,-1.15,;-.88,-1.51,;-1.56,-.59,;-.89,.33,;.2,-.01,;1.53,.75,;2.86,-.02,;2.86,-1.58,;4.2,.76,;5.54,-.01,;6.88,.77,;8.22,.02,;9.55,.79,;10.89,.02,;10.9,-1.53,;12.24,-2.29,;13.57,-1.51,;14.91,-2.28,;16.24,-1.51,;17.58,-2.28,;17.58,-3.82,;16.24,-4.59,;14.91,-3.82,;16.24,.04,;17.58,.81,;13.58,.02,;12.22,.8,;-2.57,-2.75,;-3.22,-3.66,;-4.3,-3.31,;-4.3,-2.18,;-3.23,-1.82,)|
Show InChI InChI=1S/C22H26N3O2.C5H.Fe/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)13-7-6-12-23-22(26)18-19-8-2-3-9-19;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-18H2,1H3,(H,23,26);1H;
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 3.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50167935
PNG
(CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...)
Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)|
Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;
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 3.5n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50188478
PNG
(CHEMBL210461 | N-[4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4CCc5ccc(CCc3cc4)cc5)CC2)c1Cl
Show InChI InChI=1S/C31H35Cl2N3O/c32-28-4-3-5-29(30(28)33)36-20-18-35(19-21-36)17-2-1-16-34-31(37)27-22-25-11-10-23-6-8-24(9-7-23)12-14-26(27)15-13-25/h3-9,13,15,22H,1-2,10-12,14,16-21H2,(H,34,37)
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 3.60n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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

J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50119375
PNG
(CHEMBL140612 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5O2/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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 3.90n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2 (short) by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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 4.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119388
PNG
(CHEMBL336930 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-7-3-2-6-21(22)27-16-14-26(15-17-27)13-5-4-11-24-23(29)19-8-9-20-10-12-25-28(20)18-19/h2-3,6-10,12,18H,4-5,11,13-17H2,1H3,(H,24,29)
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 4.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50188475
PNG
((R)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H39N3O2/c1-37-31-7-3-2-6-30(31)35-22-20-34(21-23-35)19-5-4-18-33-32(36)29-24-27-13-12-25-8-10-26(11-9-25)14-16-28(29)17-15-27/h2-3,6-11,15,17,24H,4-5,12-14,16,18-23H2,1H3,(H,33,36)
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 5.40n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in CHO cells

J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50188475
PNG
((R)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H39N3O2/c1-37-31-7-3-2-6-30(31)35-22-20-34(21-23-35)19-5-4-18-33-32(36)29-24-27-13-12-25-8-10-26(11-9-25)14-16-28(29)17-15-27/h2-3,6-11,15,17,24H,4-5,12-14,16,18-23H2,1H3,(H,33,36)
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 5.60n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2 short receptor expressed in CHO cells

J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50167931
PNG
(CHEMBL364516 | N-{4-[4-(2-methoxyphenyl)piperazin-...)
Show SMILES [Fe]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C21H24N3O2.C5H.Fe/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-17H2,1H3,(H,22,25);1H;
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 6.5n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50119382
PNG
(CHEMBL344677 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccnn23)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-8-20(22)27-17-15-26(16-18-27)14-5-4-12-24-23(29)21-9-6-7-19-11-13-25-28(19)21/h2-3,6-11,13H,4-5,12,14-18H2,1H3,(H,24,29)
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 8.90n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50188475
PNG
((R)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H39N3O2/c1-37-31-7-3-2-6-30(31)35-22-20-34(21-23-35)19-5-4-18-33-32(36)29-24-27-13-12-25-8-10-26(11-9-25)14-16-28(29)17-15-27/h2-3,6-11,15,17,24H,4-5,12-14,16,18-23H2,1H3,(H,33,36)
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 9.5n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in CHO cells

J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50167934
PNG
(CHEMBL191962 | N-{4-[4-(2-methoxyphenyl)piperazin-...)
Show SMILES [Ru]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C21H24N3O2.C5H.Ru/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-17H2,1H3,(H,22,25);1H;
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 10n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50119375
PNG
(CHEMBL140612 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5O2/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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 11n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2 (long) by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50188475
PNG
((R)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H39N3O2/c1-37-31-7-3-2-6-30(31)35-22-20-34(21-23-35)19-5-4-18-33-32(36)29-24-27-13-12-25-8-10-26(11-9-25)14-16-28(29)17-15-27/h2-3,6-11,15,17,24H,4-5,12-14,16,18-23H2,1H3,(H,33,36)
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 11n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2 long receptor expressed in CHO cells

J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50119378
PNG
(CHEMBL143352 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cccn3nccc23)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-9-3-2-8-21(22)27-17-15-26(16-18-27)13-5-4-11-24-23(29)19-7-6-14-28-20(19)10-12-25-28/h2-3,6-10,12,14H,4-5,11,13,15-18H2,1H3,(H,24,29)
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 11n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]- 8-OH-DPAT from porcine 5-hydroxytryptamine 1A receptor

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50167930
PNG
(2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0...)
Show SMILES [Fe]123456789C%10=C1C2=C3C4%10CC(=O)NCCCCN1CCN(c2c(cccc2)OC)CC1.C51=C6C7C8=C91 |c:1,5,35,41,(-2.12,-1.46,;.2,-1.15,;-.88,-1.51,;-1.56,-.59,;-.89,.33,;.2,-.01,;1.53,.75,;2.86,-.02,;2.86,-1.58,;4.2,.76,;5.54,-.01,;6.88,.77,;8.22,.02,;9.55,.79,;10.89,.02,;10.9,-1.53,;12.24,-2.29,;13.57,-1.51,;14.91,-2.28,;16.24,-1.51,;17.58,-2.28,;17.58,-3.82,;16.24,-4.59,;14.91,-3.82,;16.24,.04,;17.58,.81,;13.58,.02,;12.22,.8,;-2.57,-2.75,;-3.22,-3.66,;-4.3,-3.31,;-4.3,-2.18,;-3.23,-1.82,)|
Show InChI InChI=1S/C22H26N3O2.C5H.Fe/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)13-7-6-12-23-22(26)18-19-8-2-3-9-19;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-18H2,1H3,(H,23,26);1H;
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 12n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity towards porcine serotonin receptor 5-HT1A using [3H]8-OH-DPAT

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50167933
PNG
(CHEMBL370297 | N-{4-[4-(2,3-dichlorophenyl)piperaz...)
Show SMILES [Ru]123456789C%10=C1C2C3=C4%10.Clc1c(Cl)c(ccc1)N1CCN(CC1)CCCCNC(C51C6=C7C8=C91)=O |c:1,7,35,39,(.22,-2.99,;-.23,-4.26,;-.88,-5.18,;-1.96,-4.82,;-1.96,-3.7,;-.89,-3.35,;19.91,.72,;18.57,1.49,;17.23,.72,;17.23,-.83,;15.9,1.49,;15.9,3.03,;17.23,3.8,;18.57,3.03,;14.55,.72,;14.57,-.83,;13.22,-1.59,;11.89,-.8,;11.89,.74,;13.22,1.5,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
Show InChI InChI=1S/C20H20Cl2N3O.C5H.Ru/c21-17-8-5-9-18(19(17)22)25-14-12-24(13-15-25)11-4-3-10-23-20(26)16-6-1-2-7-16;1-2-4-5-3-1;/h5,8-9H,3-4,10-15H2,(H,23,26);1H;
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 12n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D2 short expressed in Chinese hamster ovary cells

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50188475
PNG
((R)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H39N3O2/c1-37-31-7-3-2-6-30(31)35-22-20-34(21-23-35)19-5-4-18-33-32(36)29-24-27-13-12-25-8-10-26(11-9-25)14-16-28(29)17-15-27/h2-3,6-11,15,17,24H,4-5,12-14,16,18-23H2,1H3,(H,33,36)
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 13n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2 short receptor expressed in CHO cells

J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50119375
PNG
(CHEMBL140612 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5O2/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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 14n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50167935
PNG
(CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...)
Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)|
Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;
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 14n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity towards porcine serotonin receptor 5-HT1A using [3H]8-OH-DPAT

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50119379
PNG
(CHEMBL423735 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)19-18-25-28-13-6-4-8-20(19)28/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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 14n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]- 8-OH-DPAT from porcine 5-hydroxytryptamine 1A receptor

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50188475
PNG
((R)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
Show InChI InChI=1S/C32H39N3O2/c1-37-31-7-3-2-6-30(31)35-22-20-34(21-23-35)19-5-4-18-33-32(36)29-24-27-13-12-25-8-10-26(11-9-25)14-16-28(29)17-15-27/h2-3,6-11,15,17,24H,4-5,12-14,16,18-23H2,1H3,(H,33,36)
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 15n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2 long receptor expressed in CHO cells

J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50119385
PNG
(CHEMBL342060 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccn3nccc3c2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-7-3-2-6-21(22)27-16-14-26(15-17-27)12-5-4-10-24-23(29)19-9-13-28-20(18-19)8-11-25-28/h2-3,6-9,11,13,18H,4-5,10,12,14-17H2,1H3,(H,24,29)
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 15n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]- 8-OH-DPAT from porcine 5-hydroxytryptamine 1A receptor

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50119386
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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 15n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 by [3H]- spiperone displacement.

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50188477
PNG
(CHEMBL208847 | N-4-(4-(2-methoxyphenyl)piperazin-1...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3c4CCc5ccc(CCc(cc4)c3o2)cc5)CC1
Show InChI InChI=1S/C34H39N3O3/c1-39-31-7-3-2-6-30(31)37-22-20-36(21-23-37)19-5-4-18-35-34(38)32-24-29-27-14-12-25-8-10-26(11-9-25)13-15-28(17-16-27)33(29)40-32/h2-3,6-11,16-17,24H,4-5,12-15,18-23H2,1H3,(H,35,38)
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 16n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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

J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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 17n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]- 8-OH-DPAT from porcine 5-hydroxytryptamine 1A receptor

J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50188474
PNG
(CHEMBL426863 | N-[4-[4-(2,3-difluorophenyl)piperaz...)
Show SMILES Fc1cccc(N2CCN(CCCCNC(=O)c3cc4CCc5ccc(CCc3cc4)cc5)CC2)c1F
Show InChI InChI=1S/C31H35F2N3O/c32-28-4-3-5-29(30(28)33)36-20-18-35(19-21-36)17-2-1-16-34-31(37)27-22-25-11-10-23-6-8-24(9-7-23)12-14-26(27)15-13-25/h3-9,13,15,22H,1-2,10-12,14,16-21H2,(H,34,37)
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 18n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in CHO cells

J Med Chem 49: 3628-35 (2006)


Article DOI: 10.1021/jm060138d
BindingDB Entry DOI: 10.7270/Q29C6X2J
More data for this
Ligand-Target Pair
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