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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50037503   
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(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
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(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(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(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))		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))		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(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))		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(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
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
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
D(2) 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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 19n/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
5-hydroxytryptamine receptor 1A


(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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 20n/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))		BDBM50167936
PNG
((2E)-3-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1...)
Show SMILES c1cc(OC)c(N2CCN(CC2)CCCCNC(\C=C(/C)C23C4=C5C6=C2[Fe]34562345C6C2=C3C4=C56)=O)cc1 |c:23,25,35,39,(17.57,4.15,;17.57,2.6,;16.23,1.82,;16.23,.3,;17.57,-.48,;14.9,2.6,;13.56,1.82,;13.57,.3,;12.21,-.48,;10.88,.3,;10.9,1.85,;12.23,2.61,;9.55,-.45,;8.21,.32,;6.87,-.45,;5.54,.33,;4.19,-.43,;2.86,.34,;1.53,-.43,;.19,.34,;.19,1.89,;-1.14,-.43,;-1.14,-1.57,;-2.22,-1.93,;-2.89,-1.01,;-2.22,-.09,;-3.45,-1.88,;-5.63,-3.73,;-4.55,-4.08,;-3.9,-3.16,;-4.56,-2.24,;-5.63,-2.6,;2.86,1.89,;14.9,4.14,;16.23,4.93,)|
Show InChI InChI=1S/C24H28N3O2.C5H.Fe/c1-20(21-9-3-4-10-21)19-24(28)25-13-7-8-14-26-15-17-27(18-16-26)22-11-5-6-12-23(22)29-2;1-2-4-5-3-1;/h5-6,11-12,19H,7-8,13-18H2,1-2H3,(H,25,28);1H;/b20-19+;;
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 20n/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))		BDBM50167936
PNG
((2E)-3-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1...)
Show SMILES c1cc(OC)c(N2CCN(CC2)CCCCNC(\C=C(/C)C23C4=C5C6=C2[Fe]34562345C6C2=C3C4=C56)=O)cc1 |c:23,25,35,39,(17.57,4.15,;17.57,2.6,;16.23,1.82,;16.23,.3,;17.57,-.48,;14.9,2.6,;13.56,1.82,;13.57,.3,;12.21,-.48,;10.88,.3,;10.9,1.85,;12.23,2.61,;9.55,-.45,;8.21,.32,;6.87,-.45,;5.54,.33,;4.19,-.43,;2.86,.34,;1.53,-.43,;.19,.34,;.19,1.89,;-1.14,-.43,;-1.14,-1.57,;-2.22,-1.93,;-2.89,-1.01,;-2.22,-.09,;-3.45,-1.88,;-5.63,-3.73,;-4.55,-4.08,;-3.9,-3.16,;-4.56,-2.24,;-5.63,-2.6,;2.86,1.89,;14.9,4.14,;16.23,4.93,)|
Show InChI InChI=1S/C24H28N3O2.C5H.Fe/c1-20(21-9-3-4-10-21)19-24(28)25-13-7-8-14-26-15-17-27(18-16-26)22-11-5-6-12-23(22)29-2;1-2-4-5-3-1;/h5-6,11-12,19H,7-8,13-18H2,1-2H3,(H,25,28);1H;/b20-19+;;
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 21n/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
5-hydroxytryptamine receptor 1A


(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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 27n/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))		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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 31n/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 long 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))		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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 43n/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 long 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))		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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 44n/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(2) 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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 45n/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))		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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 60n/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(3) 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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 64n/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))		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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 66n/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 long 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))		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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 72n/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
5-hydroxytryptamine receptor 1A


(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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 77n/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))		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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 78n/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
5-hydroxytryptamine receptor 1A


(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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 81n/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))		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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 99n/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 long 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))		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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 110n/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 long 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))		BDBM50167936
PNG
((2E)-3-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1...)
Show SMILES c1cc(OC)c(N2CCN(CC2)CCCCNC(\C=C(/C)C23C4=C5C6=C2[Fe]34562345C6C2=C3C4=C56)=O)cc1 |c:23,25,35,39,(17.57,4.15,;17.57,2.6,;16.23,1.82,;16.23,.3,;17.57,-.48,;14.9,2.6,;13.56,1.82,;13.57,.3,;12.21,-.48,;10.88,.3,;10.9,1.85,;12.23,2.61,;9.55,-.45,;8.21,.32,;6.87,-.45,;5.54,.33,;4.19,-.43,;2.86,.34,;1.53,-.43,;.19,.34,;.19,1.89,;-1.14,-.43,;-1.14,-1.57,;-2.22,-1.93,;-2.89,-1.01,;-2.22,-.09,;-3.45,-1.88,;-5.63,-3.73,;-4.55,-4.08,;-3.9,-3.16,;-4.56,-2.24,;-5.63,-2.6,;2.86,1.89,;14.9,4.14,;16.23,4.93,)|
Show InChI InChI=1S/C24H28N3O2.C5H.Fe/c1-20(21-9-3-4-10-21)19-24(28)25-13-7-8-14-26-15-17-27(18-16-26)22-11-5-6-12-23(22)29-2;1-2-4-5-3-1;/h5-6,11-12,19H,7-8,13-18H2,1-2H3,(H,25,28);1H;/b20-19+;;
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 120n/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))		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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 120n/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 long 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))		BDBM50167936
PNG
((2E)-3-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1...)
Show SMILES c1cc(OC)c(N2CCN(CC2)CCCCNC(\C=C(/C)C23C4=C5C6=C2[Fe]34562345C6C2=C3C4=C56)=O)cc1 |c:23,25,35,39,(17.57,4.15,;17.57,2.6,;16.23,1.82,;16.23,.3,;17.57,-.48,;14.9,2.6,;13.56,1.82,;13.57,.3,;12.21,-.48,;10.88,.3,;10.9,1.85,;12.23,2.61,;9.55,-.45,;8.21,.32,;6.87,-.45,;5.54,.33,;4.19,-.43,;2.86,.34,;1.53,-.43,;.19,.34,;.19,1.89,;-1.14,-.43,;-1.14,-1.57,;-2.22,-1.93,;-2.89,-1.01,;-2.22,-.09,;-3.45,-1.88,;-5.63,-3.73,;-4.55,-4.08,;-3.9,-3.16,;-4.56,-2.24,;-5.63,-2.6,;2.86,1.89,;14.9,4.14,;16.23,4.93,)|
Show InChI InChI=1S/C24H28N3O2.C5H.Fe/c1-20(21-9-3-4-10-21)19-24(28)25-13-7-8-14-26-15-17-27(18-16-26)22-11-5-6-12-23(22)29-2;1-2-4-5-3-1;/h5-6,11-12,19H,7-8,13-18H2,1-2H3,(H,25,28);1H;/b20-19+;;
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 170n/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 long 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))		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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 200n/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

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))		BDBM50167936
PNG
((2E)-3-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1...)
Show SMILES c1cc(OC)c(N2CCN(CC2)CCCCNC(\C=C(/C)C23C4=C5C6=C2[Fe]34562345C6C2=C3C4=C56)=O)cc1 |c:23,25,35,39,(17.57,4.15,;17.57,2.6,;16.23,1.82,;16.23,.3,;17.57,-.48,;14.9,2.6,;13.56,1.82,;13.57,.3,;12.21,-.48,;10.88,.3,;10.9,1.85,;12.23,2.61,;9.55,-.45,;8.21,.32,;6.87,-.45,;5.54,.33,;4.19,-.43,;2.86,.34,;1.53,-.43,;.19,.34,;.19,1.89,;-1.14,-.43,;-1.14,-1.57,;-2.22,-1.93,;-2.89,-1.01,;-2.22,-.09,;-3.45,-1.88,;-5.63,-3.73,;-4.55,-4.08,;-3.9,-3.16,;-4.56,-2.24,;-5.63,-2.6,;2.86,1.89,;14.9,4.14,;16.23,4.93,)|
Show InChI InChI=1S/C24H28N3O2.C5H.Fe/c1-20(21-9-3-4-10-21)19-24(28)25-13-7-8-14-26-15-17-27(18-16-26)22-11-5-6-12-23(22)29-2;1-2-4-5-3-1;/h5-6,11-12,19H,7-8,13-18H2,1-2H3,(H,25,28);1H;/b20-19+;;
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 210n/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))		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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 220n/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 long 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(1A) dopamine receptor


(Sus scrofa)		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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 330n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 of porcine striatal membranes

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(1A) dopamine receptor


(Sus scrofa)		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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 630n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 of porcine striatal membranes

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(1A) dopamine receptor


(Sus scrofa)		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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 720n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 of porcine striatal membranes

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(1A) dopamine receptor


(Sus scrofa)		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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 750n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 of porcine striatal membranes

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(1A) dopamine receptor


(Sus scrofa)		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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 760n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 of porcine striatal membranes

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(1A) dopamine receptor


(Sus scrofa)		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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 1.50E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 of porcine striatal membranes

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(1A) dopamine receptor


(Sus scrofa)		BDBM50167936
PNG
((2E)-3-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1...)
Show SMILES c1cc(OC)c(N2CCN(CC2)CCCCNC(\C=C(/C)C23C4=C5C6=C2[Fe]34562345C6C2=C3C4=C56)=O)cc1 |c:23,25,35,39,(17.57,4.15,;17.57,2.6,;16.23,1.82,;16.23,.3,;17.57,-.48,;14.9,2.6,;13.56,1.82,;13.57,.3,;12.21,-.48,;10.88,.3,;10.9,1.85,;12.23,2.61,;9.55,-.45,;8.21,.32,;6.87,-.45,;5.54,.33,;4.19,-.43,;2.86,.34,;1.53,-.43,;.19,.34,;.19,1.89,;-1.14,-.43,;-1.14,-1.57,;-2.22,-1.93,;-2.89,-1.01,;-2.22,-.09,;-3.45,-1.88,;-5.63,-3.73,;-4.55,-4.08,;-3.9,-3.16,;-4.56,-2.24,;-5.63,-2.6,;2.86,1.89,;14.9,4.14,;16.23,4.93,)|
Show InChI InChI=1S/C24H28N3O2.C5H.Fe/c1-20(21-9-3-4-10-21)19-24(28)25-13-7-8-14-26-15-17-27(18-16-26)22-11-5-6-12-23(22)29-2;1-2-4-5-3-1;/h5-6,11-12,19H,7-8,13-18H2,1-2H3,(H,25,28);1H;/b20-19+;;
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 1.70E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 of porcine striatal membranes

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(1A) dopamine receptor


(Sus scrofa)		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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 2.20E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 of porcine striatal membranes

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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n/an/an/an/a 7.60n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Effective concentration from [3H]thymidine uptake assay in CHO10001 cells expressing human Dopamine receptor D4.2

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))		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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n/an/an/an/a 2n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Effective concentration in [3H]thymidine uptake assay by CHO dhfr- mutant cells expressing human D3 receptor

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
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