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Compile Data Set for Download or QSAR

Found 1603 hits with Last Name = 'manley' and Initial = 'pj'   
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
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50083761
PNG
(CHEMBL87429 | [3-Oxo-8-[3-(pyridin-2-ylamino)-prop...)
Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2CN(CC(F)(F)F)C1=O
Show InChI InChI=1S/C22H24F3N3O4/c23-22(24,25)14-28-13-17-11-18(32-9-3-8-27-19-4-1-2-7-26-19)6-5-15(17)10-16(21(28)31)12-20(29)30/h1-2,4-7,11,16H,3,8-10,12-14H2,(H,26,27)(H,29,30)/t16-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3)


J Med Chem 43: 22-6 (2000)


Article DOI: 10.1021/jm990446u
BindingDB Entry DOI: 10.7270/Q290230D
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50083763
PNG
(CHEMBL86992 | [(S)-8-[2-(6-Methylamino-pyridin-2-y...)
Show SMILES CNc1cccc(CCOc2ccc3C[C@@H](CC(O)=O)C(=O)N(CC(F)(F)F)Cc3c2)n1
Show InChI InChI=1S/C22H24F3N3O4/c1-26-19-4-2-3-17(27-19)7-8-32-18-6-5-14-9-15(11-20(29)30)21(31)28(12-16(14)10-18)13-22(23,24)25/h2-6,10,15H,7-9,11-13H2,1H3,(H,26,27)(H,29,30)/t15-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3)


J Med Chem 43: 22-6 (2000)


Article DOI: 10.1021/jm990446u
BindingDB Entry DOI: 10.7270/Q290230D
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50083764
PNG
(CHEMBL421533 | [3-Oxo-8-[3-(pyridin-2-ylamino)-pro...)
Show SMILES OC(=O)CC1Cc2ccc(OCCCNc3ccccn3)cc2CN(CC(F)(F)F)C1=O
Show InChI InChI=1S/C22H24F3N3O4/c23-22(24,25)14-28-13-17-11-18(32-9-3-8-27-19-4-1-2-7-26-19)6-5-15(17)10-16(21(28)31)12-20(29)30/h1-2,4-7,11,16H,3,8-10,12-14H2,(H,26,27)(H,29,30)
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1.30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3)


J Med Chem 43: 22-6 (2000)


Article DOI: 10.1021/jm990446u
BindingDB Entry DOI: 10.7270/Q290230D
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50083762
PNG
(CHEMBL314022 | {2-Methyl-3-oxo-8-[3-(pyridin-2-yla...)
Show SMILES CN1Cc2cc(OCCCNc3ccccn3)ccc2CC(CC(O)=O)C1=O
Show InChI InChI=1S/C21H25N3O4/c1-24-14-17-12-18(28-10-4-9-23-19-5-2-3-8-22-19)7-6-15(17)11-16(21(24)27)13-20(25)26/h2-3,5-8,12,16H,4,9-11,13-14H2,1H3,(H,22,23)(H,25,26)
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1.90n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3)


J Med Chem 43: 22-6 (2000)


Article DOI: 10.1021/jm990446u
BindingDB Entry DOI: 10.7270/Q290230D
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50059133
PNG
(CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...)
Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3)


J Med Chem 43: 22-6 (2000)


Article DOI: 10.1021/jm990446u
BindingDB Entry DOI: 10.7270/Q290230D
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50126595
PNG
(3-Phenyl-4-{4-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)
Show SMILES OC(=O)C[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1
Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)/t22-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphaV-beta5 vitronectin receptor


Bioorg Med Chem Lett 13: 1483-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00102-1
BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50126595
PNG
(3-Phenyl-4-{4-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)
Show SMILES OC(=O)C[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1
Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)/t22-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphav/beta 3 vitronectin receptor in HEK cells


Bioorg Med Chem Lett 13: 1483-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00102-1
BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50078714
PNG
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)
Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor


Bioorg Med Chem Lett 13: 1483-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00102-1
BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50078714
PNG
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)
Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1
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4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3)


J Med Chem 43: 22-6 (2000)


Article DOI: 10.1021/jm990446u
BindingDB Entry DOI: 10.7270/Q290230D
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50078714
PNG
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)
Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphaIIb-beta3 vitronectin receptor


Bioorg Med Chem Lett 13: 1483-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00102-1
BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058230
PNG
(4-Chloro-N-[4-(2-chloro-phenyl)-piperazin-1-ylmeth...)
Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C18H19Cl2N3O/c19-15-7-5-14(6-8-15)18(24)21-13-22-9-11-23(12-10-22)17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24)
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5.30n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058233
PNG
(4-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethy...)
Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C19H19ClN4O/c20-17-7-5-15(6-8-17)19(25)22-14-23-9-11-24(12-10-23)18-4-2-1-3-16(18)13-21/h1-8H,9-12,14H2,(H,22,25)
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5.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50126594
PNG
(3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...)
Show SMILES OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-24(28)18-21(20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)29-16-6-15-26-23-9-4-5-14-25-23/h1-5,7-14,21H,6,15-18H2,(H,25,26)(H,27,28)
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor


Bioorg Med Chem Lett 13: 1483-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00102-1
BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058234
PNG
(CHEMBL300956 | N-[4-(2-Cyano-phenyl)-piperazin-1-y...)
Show SMILES Cc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C20H22N4O/c1-16-6-8-17(9-7-16)20(25)22-15-23-10-12-24(13-11-23)19-5-3-2-4-18(19)14-21/h2-9H,10-13,15H2,1H3,(H,22,25)
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6.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058232
PNG
(CHEMBL296506 | N-[4-(2-Methoxy-phenyl)-piperazin-1...)
Show SMILES COc1ccccc1N1CCN(CNC(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)20(24)21-15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
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6.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50126597
PNG
(4-{4-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-pheny...)
Show SMILES CNc1cccc(CCOc2ccc(C[C@@H](CC(O)=O)c3ccccc3)cc2)n1
Show InChI InChI=1S/C24H26N2O3/c1-25-23-9-5-8-21(26-23)14-15-29-22-12-10-18(11-13-22)16-20(17-24(27)28)19-6-3-2-4-7-19/h2-13,20H,14-17H2,1H3,(H,25,26)(H,27,28)/t20-/m0/s1
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7n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor


Bioorg Med Chem Lett 13: 1483-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00102-1
BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058222
PNG
(CHEMBL51023 | N-[4-(2-Methoxy-phenyl)-piperazin-1-...)
Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-7-9-17(10-8-16)20(24)21-15-22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,21,24)
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7.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071960
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H24BrCl2N3O2/c1-32-23-17-6-3-2-5-16(17)19(25)15-18(23)24(31)28-9-10-29-11-13-30(14-12-29)21-8-4-7-20(26)22(21)27/h2-8,15H,9-14H2,1H3,(H,28,31)
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for stimulation of mitogenesis in Dopamine receptor D3 transfected CHO p-5 cells


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058225
PNG
(CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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8.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058220
PNG
(CHEMBL51536 | N-[4-(2-Chloro-phenyl)-piperazin-1-y...)
Show SMILES Cc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C19H22ClN3O/c1-15-6-8-16(9-7-15)19(24)21-14-22-10-12-23(13-11-22)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
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12n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50126596
PNG
(3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...)
Show SMILES OC(=O)C[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-24(28)18-21(20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)29-16-6-15-26-23-9-4-5-14-25-23/h1-5,7-14,21H,6,15-18H2,(H,25,26)(H,27,28)/t21-/m0/s1
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12n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphav/beta 3 vitronectin receptor in HEK cells


Bioorg Med Chem Lett 13: 1483-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00102-1
BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058223
PNG
(4-Chloro-N-[4-(2-methoxy-phenyl)-piperazin-1-ylmet...)
Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C19H22ClN3O2/c1-25-18-5-3-2-4-17(18)23-12-10-22(11-13-23)14-21-19(24)15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3,(H,21,24)
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14n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058228
PNG
(3-Chloro-N-[4-(2-methoxy-phenyl)-piperazin-1-ylmet...)
Show SMILES COc1ccccc1N1CCN(CNC(=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C19H22ClN3O2/c1-25-18-8-3-2-7-17(18)23-11-9-22(10-12-23)14-21-19(24)15-5-4-6-16(20)13-15/h2-8,13H,9-12,14H2,1H3,(H,21,24)
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15n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50083760
PNG
(CHEMBL86991 | [3-Oxo-8-[3-(pyridin-2-ylamino)-prop...)
Show SMILES OC(=O)C[C@H]1Cc2ccc(OCCCNc3ccccn3)cc2CN(CC(F)(F)F)C1=O
Show InChI InChI=1S/C22H24F3N3O4/c23-22(24,25)14-28-13-17-11-18(32-9-3-8-27-19-4-1-2-7-26-19)6-5-15(17)10-16(21(28)31)12-20(29)30/h1-2,4-7,11,16H,3,8-10,12-14H2,(H,26,27)(H,29,30)/t16-/m1/s1
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20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3)


J Med Chem 43: 22-6 (2000)


Article DOI: 10.1021/jm990446u
BindingDB Entry DOI: 10.7270/Q290230D
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058231
PNG
(CHEMBL48807 | N-[4-(2-Methoxy-phenyl)-piperazin-1-...)
Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C19H23N3O2/c1-24-18-10-6-5-9-17(18)22-13-11-21(12-14-22)15-20-19(23)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,20,23)
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22n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287161
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H26BrN3O2/c1-30-23-20-10-6-5-9-19(20)22(25)17-21(23)24(29)26-11-12-27-13-15-28(16-14-27)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,26,29)
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287178
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C24H25BrN4O4/c1-33-23-18-7-3-2-6-17(18)20(25)16-19(23)24(30)26-10-11-27-12-14-28(15-13-27)21-8-4-5-9-22(21)29(31)32/h2-9,16H,10-15H2,1H3,(H,26,30)
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058224
PNG
(CHEMBL298166 | N-[4-(2-Chloro-phenyl)-piperazin-1-...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C19H22ClN3O/c1-15-5-4-6-16(13-15)19(24)21-14-22-9-11-23(12-10-22)18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3,(H,21,24)
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27n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058221
PNG
(CHEMBL423659 | N-[4-(2-Cyano-phenyl)-piperazin-1-y...)
Show SMILES O=C(NCN1CCN(CC1)c1ccccc1C#N)c1ccccc1
Show InChI InChI=1S/C19H20N4O/c20-14-17-8-4-5-9-18(17)23-12-10-22(11-13-23)15-21-19(24)16-6-2-1-3-7-16/h1-9H,10-13,15H2,(H,21,24)
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27n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50126594
PNG
(3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...)
Show SMILES OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-24(28)18-21(20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)29-16-6-15-26-23-9-4-5-14-25-23/h1-5,7-14,21H,6,15-18H2,(H,25,26)(H,27,28)
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphaV-beta5 vitronectin receptor


Bioorg Med Chem Lett 13: 1483-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00102-1
BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058227
PNG
(CHEMBL298763 | N-[4-(2-Chloro-phenyl)-piperazin-1-...)
Show SMILES Clc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)22-12-10-21(11-13-22)14-20-18(23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
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32n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058226
PNG
(3-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethy...)
Show SMILES Clc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C19H19ClN4O/c20-17-6-3-5-15(12-17)19(25)22-14-23-8-10-24(11-9-23)18-7-2-1-4-16(18)13-21/h1-7,12H,8-11,14H2,(H,22,25)
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34n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287176
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C24H25BrClN3O2/c1-31-23-18-7-3-2-6-17(18)20(25)16-19(23)24(30)27-10-11-28-12-14-29(15-13-28)22-9-5-4-8-21(22)26/h2-9,16H,10-15H2,1H3,(H,27,30)
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39n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287175
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25BrClN3O2/c1-31-23-20-8-3-2-7-19(20)22(25)16-21(23)24(30)27-9-10-28-11-13-29(14-12-28)18-6-4-5-17(26)15-18/h2-8,15-16H,9-14H2,1H3,(H,27,30)
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058229
PNG
(3-Chloro-N-[4-(2-chloro-phenyl)-piperazin-1-ylmeth...)
Show SMILES Clc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C18H19Cl2N3O/c19-15-5-3-4-14(12-15)18(24)21-13-22-8-10-23(11-9-22)17-7-2-1-6-16(17)20/h1-7,12H,8-11,13H2,(H,21,24)
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41n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50058220
PNG
(CHEMBL51536 | N-[4-(2-Chloro-phenyl)-piperazin-1-y...)
Show SMILES Cc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C19H22ClN3O/c1-15-6-8-16(9-7-15)19(24)21-14-22-10-12-23(13-11-22)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
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49n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287163
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C26H30BrN3O2/c1-18-7-6-10-24(19(18)2)30-15-13-29(14-16-30)12-11-28-26(31)22-17-23(27)20-8-4-5-9-21(20)25(22)32-3/h4-10,17H,11-16H2,1-3H3,(H,28,31)
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287173
PNG
(4-Chloro-1-methoxy-naphthalene-2-carboxylic acid [...)
Show SMILES COc1c(cc(Cl)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H26ClN3O2/c1-30-23-20-10-6-5-9-19(20)22(25)17-21(23)24(29)26-11-12-27-13-15-28(16-14-27)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,26,29)
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55n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287165
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1C
Show InChI InChI=1S/C25H28BrN3O2/c1-18-7-3-6-10-23(18)29-15-13-28(14-16-29)12-11-27-25(30)21-17-22(26)19-8-4-5-9-20(19)24(21)31-2/h3-10,17H,11-16H2,1-2H3,(H,27,30)
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66n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50058230
PNG
(4-Chloro-N-[4-(2-chloro-phenyl)-piperazin-1-ylmeth...)
Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C18H19Cl2N3O/c19-15-7-5-14(6-8-15)18(24)21-13-22-9-11-23(12-10-22)17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24)
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66n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50287179
PNG
(4-Cyano-1-methoxy-naphthalene-2-carboxylic acid [2...)
Show SMILES COc1c(cc(C#N)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H26N4O2/c1-31-24-22-10-6-5-9-21(22)19(18-26)17-23(24)25(30)27-11-12-28-13-15-29(16-14-28)20-7-3-2-4-8-20/h2-10,17H,11-16H2,1H3,(H,27,30)
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71n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D2 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287168
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1
Show InChI InChI=1S/C25H28BrN3O3/c1-31-23-10-6-5-9-22(23)29-15-13-28(14-16-29)12-11-27-25(30)20-17-21(26)18-7-3-4-8-19(18)24(20)32-2/h3-10,17H,11-16H2,1-2H3,(H,27,30)
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76n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287179
PNG
(4-Cyano-1-methoxy-naphthalene-2-carboxylic acid [2...)
Show SMILES COc1c(cc(C#N)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H26N4O2/c1-31-24-22-10-6-5-9-21(22)19(18-26)17-23(24)25(30)27-11-12-28-13-15-29(16-14-28)20-7-3-2-4-8-20/h2-10,17H,11-16H2,1H3,(H,27,30)
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131n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287180
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25BrClN3O2/c1-31-23-20-5-3-2-4-19(20)22(25)16-21(23)24(30)27-10-11-28-12-14-29(15-13-28)18-8-6-17(26)7-9-18/h2-9,16H,10-15H2,1H3,(H,27,30)
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132n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50287178
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C24H25BrN4O4/c1-33-23-18-7-3-2-6-17(18)20(25)16-19(23)24(30)26-10-11-27-12-14-28(15-13-27)21-8-4-5-9-22(21)29(31)32/h2-9,16H,10-15H2,1H3,(H,26,30)
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151n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D2 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50058225
PNG
(CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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168n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound at alpha-1 adrenergic receptor


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50126598
PNG
(3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...)
Show SMILES OC(=O)C[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-24(28)18-21(20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)29-16-6-15-26-23-9-4-5-14-25-23/h1-5,7-14,21H,6,15-18H2,(H,25,26)(H,27,28)/t21-/m1/s1
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170n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor


Bioorg Med Chem Lett 13: 1483-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00102-1
BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50058222
PNG
(CHEMBL51023 | N-[4-(2-Methoxy-phenyl)-piperazin-1-...)
Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-7-9-17(10-8-16)20(24)21-15-22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,21,24)
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174n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50058225
PNG
(CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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177n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound at Alpha-2 adrenergic receptor


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50058227
PNG
(CHEMBL298763 | N-[4-(2-Chloro-phenyl)-piperazin-1-...)
Show SMILES Clc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)22-12-10-21(11-13-22)14-20-18(23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
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177n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
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