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Compile Data Set for Download or QSAR

Found 657 hits with Last Name = 'holmes' and Initial = 'ip'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414563
PNG
(CHEMBL559873)
Show SMILES Clc1cccc(c1)N1CCN(CCN2CCCc3sccc3C2)C1=O
Show InChI InChI=1S/C19H22ClN3OS/c20-16-3-1-4-17(13-16)23-11-10-22(19(23)24)9-8-21-7-2-5-18-15(14-21)6-12-25-18/h1,3-4,6,12-13H,2,5,7-11,14H2
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0.631n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414574
PNG
(CHEMBL563580)
Show SMILES Clc1cccc(c1)N1CCN(CCN2[C@H]3CC[C@@H]2CCC3)C1=O |r,TLB:12:13:19.18.20:16.15|
Show InChI InChI=1S/C18H24ClN3O/c19-14-3-1-6-17(13-14)22-12-10-20(18(22)23)9-11-21-15-4-2-5-16(21)8-7-15/h1,3,6,13,15-16H,2,4-5,7-12H2/t15-,16+
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1.26n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411402
PNG
(CHEMBL244946)
Show SMILES Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c2)n(C)n1
Show InChI InChI=1S/C31H35N7S/c1-21-9-12-26-27(7-5-8-28(26)32-21)30-33-34-31(36(30)3)39-18-6-15-38-16-13-23-10-11-25(20-24(23)14-17-38)29-19-22(2)35-37(29)4/h5,7-12,19-20H,6,13-18H2,1-4H3
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1.58n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414578
PNG
(CHEMBL558058)
Show SMILES CN(CCN1CCN(C1=O)c1cccc(c1)C(F)(F)F)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
Show InChI InChI=1S/C23H32F3N3O/c1-21(2)17-7-9-22(21,10-8-17)16-27(3)11-12-28-13-14-29(20(28)30)19-6-4-5-18(15-19)23(24,25)26/h4-6,15,17H,7-14,16H2,1-3H3/t17-,22+
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1.58n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417494
PNG
(CHEMBL1288285)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H35ClF3N3O/c1-27(2,21-4-3-5-22(16-21)29(31,32)33)26(37)34-23-8-9-25(24(30)17-23)36-14-11-28(12-15-36)10-13-35(19-28)18-20-6-7-20/h3-5,8-9,16-17,20H,6-7,10-15,18-19H2,1-2H3,(H,34,37)
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414403
PNG
(CHEMBL560177)
Show SMILES Clc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H20ClN3O/c20-17-6-3-7-18(12-17)23-11-10-22(19(23)24)9-8-21-13-15-4-1-2-5-16(15)14-21/h1-7,12H,8-11,13-14H2
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2.51n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50414466
PNG
(CHEMBL550583)
Show SMILES COc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
Show InChI InChI=1S/C28H30ClN3O3/c1-28(2,20-9-5-4-6-10-20)27(34)30-21-13-14-24(23(29)19-21)31-15-17-32(18-16-31)26(33)22-11-7-8-12-25(22)35-3/h4-14,19H,15-18H2,1-3H3,(H,30,34)
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 19: 4022-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.035
BindingDB Entry DOI: 10.7270/Q2B27VBW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414570
PNG
(CHEMBL563635)
Show SMILES CCN(CC)CCN1CCN(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClN3O/c1-3-17(4-2)8-9-18-10-11-19(15(18)20)14-7-5-6-13(16)12-14/h5-7,12H,3-4,8-11H2,1-2H3
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2.51n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414557
PNG
(CHEMBL562464)
Show SMILES Clc1cccc(c1)N1CCN(CCN2C[C@@H]3CC[C@H]2Cc2ccccc2C3)C1=O |r|
Show InChI InChI=1S/C24H28ClN3O/c25-21-6-3-7-23(16-21)28-13-12-26(24(28)29)10-11-27-17-18-8-9-22(27)15-20-5-2-1-4-19(20)14-18/h1-7,16,18,22H,8-15,17H2/t18-,22+/m1/s1
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2.51n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414572
PNG
(CHEMBL563860)
Show SMILES Clc1cccc(c1)N1CCN(CCN2C[C@H]3CC[C@@H]2C3)C1=O |r,TLB:12:13:17.16:19|
Show InChI InChI=1S/C17H22ClN3O/c18-14-2-1-3-16(11-14)21-9-8-19(17(21)22)6-7-20-12-13-4-5-15(20)10-13/h1-3,11,13,15H,4-10,12H2/t13-,15+/m0/s1
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2.51n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414563
PNG
(CHEMBL559873)
Show SMILES Clc1cccc(c1)N1CCN(CCN2CCCc3sccc3C2)C1=O
Show InChI InChI=1S/C19H22ClN3OS/c20-16-3-1-4-17(13-16)23-11-10-22(19(23)24)9-8-21-7-2-5-18-15(14-21)6-12-25-18/h1,3-4,6,12-13H,2,5,7-11,14H2
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3.16n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414555
PNG
(CHEMBL565075)
Show SMILES Clc1cccc(c1)N1CCN(CCN2C[C@H]3CC[C@H](CC3)C2)C1=O |r,wD:15.21,18.19,(12.76,-.71,;12.72,-2.25,;11.37,-2.98,;11.33,-4.53,;12.64,-5.34,;14,-4.6,;14.04,-3.05,;15.44,-5.15,;15.87,-6.63,;17.41,-6.67,;17.92,-5.22,;19.25,-4.44,;20.59,-5.2,;21.92,-4.42,;22.75,-2.96,;24.43,-2.94,;25.71,-3.64,;25.72,-5.11,;24.45,-5.86,;23.16,-5.16,;23.15,-3.69,;22.77,-5.87,;16.7,-4.28,;16.74,-2.74,)|
Show InChI InChI=1S/C19H26ClN3O/c20-17-2-1-3-18(12-17)23-11-10-22(19(23)24)9-8-21-13-15-4-5-16(14-21)7-6-15/h1-3,12,15-16H,4-11,13-14H2/t15-,16+
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3.16n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414572
PNG
(CHEMBL563860)
Show SMILES Clc1cccc(c1)N1CCN(CCN2C[C@H]3CC[C@@H]2C3)C1=O |r,TLB:12:13:17.16:19|
Show InChI InChI=1S/C17H22ClN3O/c18-14-2-1-3-16(11-14)21-9-8-19(17(21)22)6-7-20-12-13-4-5-15(20)10-13/h1-3,11,13,15H,4-10,12H2/t13-,15+/m0/s1
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3.98n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50414465
PNG
(CHEMBL550559)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C28H27ClF3N3O2/c1-27(2,19-8-4-3-5-9-19)26(37)33-20-12-13-24(23(29)18-20)34-14-16-35(17-15-34)25(36)21-10-6-7-11-22(21)28(30,31)32/h3-13,18H,14-17H2,1-2H3,(H,33,37)
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 19: 4022-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.035
BindingDB Entry DOI: 10.7270/Q2B27VBW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50370572
PNG
(CHEMBL85606 | SB-277011)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(-5.17,2.38,;-5.16,.84,;-3.83,.08,;-2.49,.85,;-2.5,2.39,;-1.16,3.16,;.18,2.39,;1.51,3.16,;2.84,2.39,;4.18,3.16,;4.17,4.69,;5.51,5.46,;6.84,4.68,;8.18,5.44,;9.51,4.67,;9.5,3.12,;8.16,2.36,;6.83,3.14,;5.51,2.38,;10.85,5.43,;12.18,6.19,;.17,.85,;-1.15,.08,;-6.49,.07,;-7.83,.83,;-9.16,.06,;-9.16,-1.48,;-7.83,-2.25,;-7.83,-3.79,;-6.49,-4.56,;-5.15,-3.79,;-5.16,-2.25,;-6.49,-1.48,)|
Show InChI InChI=1S/C28H30N4O/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33)/t20-,24-
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3.98n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50414470
PNG
(CHEMBL551311)
Show SMILES Cc1cccc(c1)C(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C28H30ClN3O2/c1-20-8-7-11-22(18-20)28(2,3)27(34)30-23-12-13-25(24(29)19-23)31-14-16-32(17-15-31)26(33)21-9-5-4-6-10-21/h4-13,18-19H,14-17H2,1-3H3,(H,30,34)
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 19: 4022-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.035
BindingDB Entry DOI: 10.7270/Q2B27VBW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414574
PNG
(CHEMBL563580)
Show SMILES Clc1cccc(c1)N1CCN(CCN2[C@H]3CC[C@@H]2CCC3)C1=O |r,TLB:12:13:19.18.20:16.15|
Show InChI InChI=1S/C18H24ClN3O/c19-14-3-1-6-17(13-14)22-12-10-20(18(22)23)9-11-21-15-4-2-5-16(21)8-7-15/h1,3,6,13,15-16H,2,4-5,7-12H2/t15-,16+
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5.01n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414566
PNG
(CHEMBL563435)
Show SMILES COc1cccc(c1)N1CCN(CCN(C)C[C@@]23CC[C@@H](CC2)C3(C)C)C1=O |r|
Show InChI InChI=1S/C23H35N3O2/c1-22(2)18-8-10-23(22,11-9-18)17-24(3)12-13-25-14-15-26(21(25)27)19-6-5-7-20(16-19)28-4/h5-7,16,18H,8-15,17H2,1-4H3/t18-,23+
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5.01n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50414458
PNG
(CHEMBL562725)
Show SMILES Clc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H28ClN3O2/c32-27-22-26(33-30(36)29(23-10-4-1-5-11-23)24-12-6-2-7-13-24)16-17-28(27)34-18-20-35(21-19-34)31(37)25-14-8-3-9-15-25/h1-17,22,29H,18-21H2,(H,33,36)
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 19: 4022-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.035
BindingDB Entry DOI: 10.7270/Q2B27VBW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414565
PNG
(CHEMBL563274)
Show SMILES CN(CCN1CCN(C1=O)c1cccc(Cl)c1)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
Show InChI InChI=1S/C22H32ClN3O/c1-21(2)17-7-9-22(21,10-8-17)16-24(3)11-12-25-13-14-26(20(25)27)19-6-4-5-18(23)15-19/h4-6,15,17H,7-14,16H2,1-3H3/t17-,22+
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6.31n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414567
PNG
(CHEMBL562948)
Show SMILES CN(CCN1CCN(C1=O)c1ccccc1)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
Show InChI InChI=1S/C22H33N3O/c1-21(2)18-9-11-22(21,12-10-18)17-23(3)13-14-24-15-16-25(20(24)26)19-7-5-4-6-8-19/h4-8,18H,9-17H2,1-3H3/t18-,22+
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10n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50414459
PNG
(CHEMBL549771)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C27H28ClN3O2/c1-27(2,21-11-7-4-8-12-21)26(33)29-22-13-14-24(23(28)19-22)30-15-17-31(18-16-30)25(32)20-9-5-3-6-10-20/h3-14,19H,15-18H2,1-2H3,(H,29,33)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 19: 4022-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.035
BindingDB Entry DOI: 10.7270/Q2B27VBW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414571
PNG
(CHEMBL563563)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(CCN1CCN(C1=O)c1cccc(Cl)c1)C2 |r|
Show InChI InChI=1S/C21H30ClN3O/c1-20(2)12-18-13-21(3,14-20)15-24(18)8-7-23-9-10-25(19(23)26)17-6-4-5-16(22)11-17/h4-6,11,18H,7-10,12-15H2,1-3H3/t18-,21-/m1/s1
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12.6n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50414467
PNG
(CHEMBL552112)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ncccc2C(F)(F)F)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C27H26ClF3N4O2/c1-26(2,18-7-4-3-5-8-18)25(37)33-19-10-11-22(21(28)17-19)34-13-15-35(16-14-34)24(36)23-20(27(29,30)31)9-6-12-32-23/h3-12,17H,13-16H2,1-2H3,(H,33,37)
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 19: 4022-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.035
BindingDB Entry DOI: 10.7270/Q2B27VBW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50414461
PNG
(CHEMBL556481)
Show SMILES Clc1cc(NC(=O)C(c2ccccc2)c2ccccn2)ccc1N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C30H27ClN4O2/c31-25-21-24(33-29(36)28(22-9-3-1-4-10-22)26-13-7-8-16-32-26)14-15-27(25)34-17-19-35(20-18-34)30(37)23-11-5-2-6-12-23/h1-16,21,28H,17-20H2,(H,33,36)
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 19: 4022-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.035
BindingDB Entry DOI: 10.7270/Q2B27VBW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414556
PNG
(CHEMBL564930)
Show SMILES CC1(C)[C@H]2CC[C@]1(C)CN(CCN1CCN(C1=O)c1cccc(Cl)c1)C2 |r,THB:10:9:1:5.4|
Show InChI InChI=1S/C21H30ClN3O/c1-20(2)16-7-8-21(20,3)15-23(14-16)9-10-24-11-12-25(19(24)26)18-6-4-5-17(22)13-18/h4-6,13,16H,7-12,14-15H2,1-3H3/t16-,21+/m0/s1
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15.8n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417493
PNG
(CHEMBL1288284)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC3(CCNC3)CC2)c(Cl)c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H29ClF3N3O/c1-23(2,17-4-3-5-18(14-17)25(27,28)29)22(33)31-19-6-7-21(20(26)15-19)32-12-9-24(10-13-32)8-11-30-16-24/h3-7,14-15,30H,8-13,16H2,1-2H3,(H,31,33)
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414554
PNG
(CHEMBL551927)
Show SMILES C[C@]12C[C@H](CC(C1)c1ccccc1)N(CCN1CCN(C1=O)c1cccc(Cl)c1)C2 |r,THB:14:13:2:5.6.4,7:5:2:29.13|
Show InChI InChI=1S/C25H30ClN3O/c1-25-16-20(19-6-3-2-4-7-19)14-23(17-25)28(18-25)11-10-27-12-13-29(24(27)30)22-9-5-8-21(26)15-22/h2-9,15,20,23H,10-14,16-18H2,1H3/t20?,23-,25+/m0/s1
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15.8n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417479
PNG
(CHEMBL1288078)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC(CC2)N2CCCCC2)c(Cl)c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H33ClF3N3O/c1-26(2,19-7-6-8-20(17-19)27(29,30)31)25(35)32-21-9-10-24(23(28)18-21)34-15-11-22(12-16-34)33-13-4-3-5-14-33/h6-10,17-18,22H,3-5,11-16H2,1-2H3,(H,32,35)
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417488
PNG
(CHEMBL1288200)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H31ClF3N3O/c1-25(2,18-4-3-5-19(14-18)26(28,29)30)24(34)32-21-8-9-23(22(27)15-21)33-12-10-20(11-13-33)31-16-17-6-7-17/h3-5,8-9,14-15,17,20,31H,6-7,10-13,16H2,1-2H3,(H,32,34)
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414581
PNG
(CHEMBL560270)
Show SMILES CN(CCN1CCN(C1=O)c1cccc(C)c1)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
Show InChI InChI=1S/C23H35N3O/c1-18-6-5-7-20(16-18)26-15-14-25(21(26)27)13-12-24(4)17-23-10-8-19(9-11-23)22(23,2)3/h5-7,16,19H,8-15,17H2,1-4H3/t19-,23+
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19.9n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50414455
PNG
(CHEMBL560914)
Show SMILES CC1(CCCCC1)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C25H30ClN3O2/c1-25(12-6-3-7-13-25)24(31)27-20-10-11-22(21(26)18-20)28-14-16-29(17-15-28)23(30)19-8-4-2-5-9-19/h2,4-5,8-11,18H,3,6-7,12-17H2,1H3,(H,27,31)
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 19: 4022-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.035
BindingDB Entry DOI: 10.7270/Q2B27VBW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414554
PNG
(CHEMBL551927)
Show SMILES C[C@]12C[C@H](CC(C1)c1ccccc1)N(CCN1CCN(C1=O)c1cccc(Cl)c1)C2 |r,THB:14:13:2:5.6.4,7:5:2:29.13|
Show InChI InChI=1S/C25H30ClN3O/c1-25-16-20(19-6-3-2-4-7-19)14-23(17-25)28(18-25)11-10-27-12-13-29(24(27)30)22-9-5-8-21(26)15-22/h2-9,15,20,23H,10-14,16-18H2,1H3/t20?,23-,25+/m0/s1
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19.9n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414578
PNG
(CHEMBL558058)
Show SMILES CN(CCN1CCN(C1=O)c1cccc(c1)C(F)(F)F)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
Show InChI InChI=1S/C23H32F3N3O/c1-21(2)17-7-9-22(21,10-8-17)16-27(3)11-12-28-13-14-29(20(28)30)19-6-4-5-18(15-19)23(24,25)26/h4-6,15,17H,7-14,16H2,1-3H3/t17-,22+
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19.9n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50414468
PNG
(CHEMBL1196581 | CHEMBL557502)
Show SMILES COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
Show InChI InChI=1S/C27H29ClN4O3/c1-27(2,19-8-5-4-6-9-19)26(34)30-20-11-12-22(21(28)18-20)31-14-16-32(17-15-31)25(33)24-23(35-3)10-7-13-29-24/h4-13,18H,14-17H2,1-3H3,(H,30,34)
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 19: 4022-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.035
BindingDB Entry DOI: 10.7270/Q2B27VBW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414579
PNG
(CHEMBL564948)
Show SMILES CN(CCN1CCN(C1=O)c1ccc(C)cc1)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
Show InChI InChI=1S/C23H35N3O/c1-18-5-7-20(8-6-18)26-16-15-25(21(26)27)14-13-24(4)17-23-11-9-19(10-12-23)22(23,2)3/h5-8,19H,9-17H2,1-4H3/t19-,23+
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25.1n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414570
PNG
(CHEMBL563635)
Show SMILES CCN(CC)CCN1CCN(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClN3O/c1-3-17(4-2)8-9-18-10-11-19(15(18)20)14-7-5-6-13(16)12-14/h5-7,12H,3-4,8-11H2,1-2H3
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25.1n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414558
PNG
(CHEMBL556496)
Show SMILES COc1cccc(c1)C1CCCN(CCN2CCN(C2=O)c2cccc(Cl)c2)C1
Show InChI InChI=1S/C23H28ClN3O2/c1-29-22-9-2-5-18(15-22)19-6-4-10-25(17-19)11-12-26-13-14-27(23(26)28)21-8-3-7-20(24)16-21/h2-3,5,7-9,15-16,19H,4,6,10-14,17H2,1H3
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25.1n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414564
PNG
(CHEMBL562833)
Show SMILES CC1(C)[C@@H]2CC[C@]11CCN(CCN3CCN(C3=O)c3cccc(Cl)c3)C1C2 |r,THB:9:25:4.5:1|
Show InChI InChI=1S/C22H30ClN3O/c1-21(2)16-6-7-22(21)8-9-24(19(22)14-16)10-11-25-12-13-26(20(25)27)18-5-3-4-17(23)15-18/h3-5,15-16,19H,6-14H2,1-2H3/t16-,19?,22-/m1/s1
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25.1n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417487
PNG
(CHEMBL1288199)
Show SMILES Cc1cccc(c1)C(C)(C)C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1
Show InChI InChI=1S/C26H34ClN3O/c1-18-5-4-6-20(15-18)26(2,3)25(31)29-22-9-10-24(23(27)16-22)30-13-11-21(12-14-30)28-17-19-7-8-19/h4-6,9-10,15-16,19,21,28H,7-8,11-14,17H2,1-3H3,(H,29,31)
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414557
PNG
(CHEMBL562464)
Show SMILES Clc1cccc(c1)N1CCN(CCN2C[C@@H]3CC[C@H]2Cc2ccccc2C3)C1=O |r|
Show InChI InChI=1S/C24H28ClN3O/c25-21-6-3-7-23(16-21)28-13-12-26(24(28)29)10-11-27-17-18-8-9-22(27)15-20-5-2-1-4-19(20)14-18/h1-7,16,18,22H,8-15,17H2/t18-,22+/m1/s1
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25.1n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50414468
PNG
(CHEMBL1196581 | CHEMBL557502)
Show SMILES COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
Show InChI InChI=1S/C27H29ClN4O3/c1-27(2,19-8-5-4-6-9-19)26(34)30-20-11-12-22(21(28)18-20)31-14-16-32(17-15-31)25(33)24-23(35-3)10-7-13-29-24/h4-13,18H,14-17H2,1-3H3,(H,30,34)
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414555
PNG
(CHEMBL565075)
Show SMILES Clc1cccc(c1)N1CCN(CCN2C[C@H]3CC[C@H](CC3)C2)C1=O |r,wD:15.21,18.19,(12.76,-.71,;12.72,-2.25,;11.37,-2.98,;11.33,-4.53,;12.64,-5.34,;14,-4.6,;14.04,-3.05,;15.44,-5.15,;15.87,-6.63,;17.41,-6.67,;17.92,-5.22,;19.25,-4.44,;20.59,-5.2,;21.92,-4.42,;22.75,-2.96,;24.43,-2.94,;25.71,-3.64,;25.72,-5.11,;24.45,-5.86,;23.16,-5.16,;23.15,-3.69,;22.77,-5.87,;16.7,-4.28,;16.74,-2.74,)|
Show InChI InChI=1S/C19H26ClN3O/c20-17-2-1-3-18(12-17)23-11-10-22(19(23)24)9-8-21-13-15-4-5-16(14-21)7-6-15/h1-3,12,15-16H,4-11,13-14H2/t15-,16+
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25.1n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414562
PNG
(CHEMBL554738)
Show SMILES CN(CCN1CCN(C1=O)c1cccc(Cl)c1)Cc1cc2ccccc2s1
Show InChI InChI=1S/C21H22ClN3OS/c1-23(15-19-13-16-5-2-3-8-20(16)27-19)9-10-24-11-12-25(21(24)26)18-7-4-6-17(22)14-18/h2-8,13-14H,9-12,15H2,1H3
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31.6n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414556
PNG
(CHEMBL564930)
Show SMILES CC1(C)[C@H]2CC[C@]1(C)CN(CCN1CCN(C1=O)c1cccc(Cl)c1)C2 |r,THB:10:9:1:5.4|
Show InChI InChI=1S/C21H30ClN3O/c1-20(2)16-7-8-21(20,3)15-23(14-16)9-10-24-11-12-25(19(24)26)18-6-4-5-17(22)13-18/h4-6,13,16H,7-12,14-15H2,1-3H3/t16-,21+/m0/s1
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31.6n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414568
PNG
(CHEMBL562836)
Show SMILES CN(CCN1CCN(C1=O)c1ccc(F)cc1)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
Show InChI InChI=1S/C22H32FN3O/c1-21(2)17-8-10-22(21,11-9-17)16-24(3)12-13-25-14-15-26(20(25)27)19-6-4-18(23)5-7-19/h4-7,17H,8-16H2,1-3H3/t17-,22+
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39.8n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414582
PNG
(CHEMBL564347)
Show SMILES [H][C@]12CC[C@@](CN(C)CCN3CCN(C3=O)c3ccc4OCOc4c3)(CC1)C2(C)C |r|
Show InChI InChI=1S/C23H33N3O3/c1-22(2)17-6-8-23(22,9-7-17)15-24(3)10-11-25-12-13-26(21(25)27)18-4-5-19-20(14-18)29-16-28-19/h4-5,14,17H,6-13,15-16H2,1-3H3/t17-,23-
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50.1n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414560
PNG
(CHEMBL563926)
Show SMILES COc1cccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H26ClN3O2/c1-23(10-9-17-5-3-8-20(15-17)27-2)11-12-24-13-14-25(21(24)26)19-7-4-6-18(22)16-19/h3-8,15-16H,9-14H2,1-2H3
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50.1n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417475
PNG
(CHEMBL1288016)
Show SMILES Clc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C30H34ClN3O/c31-27-22-25(14-15-28(27)34-20-16-26(17-21-34)33-18-8-3-9-19-33)32-30(35)29(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-2,4-7,10-15,22,26,29H,3,8-9,16-21H2,(H,32,35)
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414575
PNG
(CHEMBL561128)
Show SMILES Clc1ccc(cc1)C1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C22H25Cl2N3O/c23-19-6-4-17(5-7-19)18-8-10-25(11-9-18)12-13-26-14-15-27(22(26)28)21-3-1-2-20(24)16-21/h1-7,16,18H,8-15H2
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50.1n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair
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