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PubMed code 19403308

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258478
PNG
(2-(3,4-difluorophenyl)-N-(3-(6-fluoro-1H-spiro[fur...)
Show SMILES FCCN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C27H29F4N5O2/c28-7-14-35(26(37)25(36-11-1-8-33-36)19-3-4-22(29)23(30)15-19)10-2-9-34-12-5-27(6-13-34)21-17-32-24(31)16-20(21)18-38-27/h1,3-4,8,11,15-17,25H,2,5-7,9-10,12-14,18H2
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n/an/a 0.0900n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258477
PNG
(2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluoro-1H-s...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C27H30F3N5O2/c1-2-34(26(36)25(35-12-3-9-32-35)19-5-6-22(28)23(29)15-19)11-4-10-33-13-7-27(8-14-33)21-17-31-24(30)16-20(21)18-37-27/h3,5-6,9,12,15-17,25H,2,4,7-8,10-11,13-14,18H2,1H3
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n/an/a 0.150n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258315
PNG
((+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccccc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H32F2N2O2/c1-33(29(35)28(22-8-3-2-4-9-22)23-12-13-26(31)27(32)20-23)16-7-17-34-18-14-30(15-19-34)25-11-6-5-10-24(25)21-36-30/h2-6,8-13,20,28H,7,14-19,21H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258450
PNG
((+/-)-2-(3,4-difluorophenyl)-N-(3-(6-fluoro-1H-spi...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C26H28F3N5O2/c1-32(25(35)24(34-11-2-8-31-34)18-4-5-21(27)22(28)14-18)9-3-10-33-12-6-26(7-13-33)20-16-30-23(29)15-19(20)17-36-26/h2,4-5,8,11,14-16,24H,3,6-7,9-10,12-13,17H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258450
PNG
((+/-)-2-(3,4-difluorophenyl)-N-(3-(6-fluoro-1H-spi...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C26H28F3N5O2/c1-32(25(35)24(34-11-2-8-31-34)18-4-5-21(27)22(28)14-18)9-3-10-33-12-6-26(7-13-33)20-16-30-23(29)15-19(20)17-36-26/h2,4-5,8,11,14-16,24H,3,6-7,9-10,12-13,17H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258417
PNG
((+/-)-N-(3-(3'H-spiro[cyclohexane-1,1'-isobenzofur...)
Show SMILES CN(CCCC1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C28H31F2N3O2/c1-32(27(34)26(33-17-5-15-31-33)21-9-10-24(29)25(30)18-21)16-4-6-20-11-13-28(14-12-20)23-8-3-2-7-22(23)19-35-28/h2-3,5,7-10,15,17-18,20,26H,4,6,11-14,16,19H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258418
PNG
((+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccc(F)c(F)c1)n1ccnn1
Show InChI InChI=1S/C26H29F2N5O2/c1-31(25(34)24(33-16-11-29-30-33)19-7-8-22(27)23(28)17-19)12-4-13-32-14-9-26(10-15-32)21-6-3-2-5-20(21)18-35-26/h2-3,5-8,11,16-17,24H,4,9-10,12-15,18H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258276
PNG
(1-(3-(3H-spiro[isobenzofuran-1,4'-piperidine]-1'-y...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)N(c1ccc(C)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H33F2N3O2/c1-22-8-10-24(11-9-22)35(25-12-13-27(31)28(32)20-25)29(36)33(2)16-5-17-34-18-14-30(15-19-34)26-7-4-3-6-23(26)21-37-30/h3-4,6-13,20H,5,14-19,21H2,1-2H3
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n/an/a 2.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258275
PNG
(1-(3,4-difluorophenyl)-3-(3-(2,3-dihydrospiro[inde...)
Show SMILES CN(CCCN1CCC2(CCc3ccccc23)CC1)C(=O)N(c1ccc(C)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C31H35F2N3O/c1-23-8-10-25(11-9-23)36(26-12-13-28(32)29(33)22-26)30(37)34(2)18-5-19-35-20-16-31(17-21-35)15-14-24-6-3-4-7-27(24)31/h3-4,6-13,22H,5,14-21H2,1-2H3
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n/an/a 2.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258449
PNG
((+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(N1CCCC1=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C28H33F2N3O3/c1-31(27(35)26(33-15-4-8-25(33)34)20-9-10-23(29)24(30)18-20)13-5-14-32-16-11-28(12-17-32)22-7-3-2-6-21(22)19-36-28/h2-3,6-7,9-10,18,26H,4-5,8,11-17,19H2,1H3
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n/an/a 2.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258419
PNG
((+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccc(F)c(F)c1)n1cncn1
Show InChI InChI=1S/C26H29F2N5O2/c1-31(25(34)24(33-18-29-17-30-33)19-7-8-22(27)23(28)15-19)11-4-12-32-13-9-26(10-14-32)21-6-3-2-5-20(21)16-35-26/h2-3,5-8,15,17-18,24H,4,9-14,16H2,1H3
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n/an/a 2.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258274
PNG
(1-(3,4-difluorophenyl)-3-(3-(2,3-dihydrospiro[inde...)
Show SMILES Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H33F2N3O/c1-22-7-9-24(10-8-22)35(25-11-12-27(31)28(32)21-25)29(36)33-17-4-18-34-19-15-30(16-20-34)14-13-23-5-2-3-6-26(23)30/h2-3,5-12,21H,4,13-20H2,1H3,(H,33,36)
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n/an/a 9.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258420
PNG
((+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccc(F)c(F)c1)n1cnnn1
Show InChI InChI=1S/C25H28F2N6O2/c1-31(24(34)23(33-17-28-29-30-33)18-7-8-21(26)22(27)15-18)11-4-12-32-13-9-25(10-14-32)20-6-3-2-5-19(20)16-35-25/h2-3,5-8,15,17,23H,4,9-14,16H2,1H3
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n/an/a 9.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258277
PNG
(1-(3-(3H-spiro[isobenzofuran-1,4'-piperidine]-1'-y...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)N(c1ccccc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C29H31F2N3O2/c1-32(28(35)34(23-9-3-2-4-10-23)24-12-13-26(30)27(31)20-24)16-7-17-33-18-14-29(15-19-33)25-11-6-5-8-22(25)21-36-29/h2-6,8-13,20H,7,14-19,21H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258843
PNG
(3-(3-(2,3-dihydrospiro[indene-1,4'-piperidine]-1'-...)
Show SMILES Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1ccc(C)cc1
Show InChI InChI=1S/C31H37N3O/c1-24-8-12-27(13-9-24)34(28-14-10-25(2)11-15-28)30(35)32-20-5-21-33-22-18-31(19-23-33)17-16-26-6-3-4-7-29(26)31/h3-4,6-15H,5,16-23H2,1-2H3,(H,32,35)
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n/an/a 42n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258844
PNG
(3-(3-(2,3-dihydrospiro[indene-1,4'-piperidine]-1'-...)
Show SMILES Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1cccc(F)c1
Show InChI InChI=1S/C30H34FN3O/c1-23-10-12-26(13-11-23)34(27-8-4-7-25(31)22-27)29(35)32-18-5-19-33-20-16-30(17-21-33)15-14-24-6-2-3-9-28(24)30/h2-4,6-13,22H,5,14-21H2,1H3,(H,32,35)
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n/an/a 42n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258842
PNG
(3-(3-(2,3-dihydrospiro[indene-1,4'-piperidine]-1'-...)
Show SMILES Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34FN3O/c1-23-7-11-26(12-8-23)34(27-13-9-25(31)10-14-27)29(35)32-19-4-20-33-21-17-30(18-22-33)16-15-24-5-2-3-6-28(24)30/h2-3,5-14H,4,15-22H2,1H3,(H,32,35)
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n/an/a 54n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50258448
PNG
((+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(N1CCCC1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C28H35F2N3O2/c1-31(27(34)26(33-15-4-5-16-33)21-9-10-24(29)25(30)19-21)13-6-14-32-17-11-28(12-18-32)23-8-3-2-7-22(23)20-35-28/h2-3,7-10,19,26H,4-6,11-18,20H2,1H3
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n/an/a 125n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258275
PNG
(1-(3,4-difluorophenyl)-3-(3-(2,3-dihydrospiro[inde...)
Show SMILES CN(CCCN1CCC2(CCc3ccccc23)CC1)C(=O)N(c1ccc(C)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C31H35F2N3O/c1-23-8-10-25(11-9-23)36(26-12-13-28(32)29(33)22-26)30(37)34(2)18-5-19-35-20-16-31(17-21-35)15-14-24-6-3-4-7-27(24)31/h3-4,6-13,22H,5,14-21H2,1-2H3
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n/an/a 230n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258842
PNG
(3-(3-(2,3-dihydrospiro[indene-1,4'-piperidine]-1'-...)
Show SMILES Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34FN3O/c1-23-7-11-26(12-8-23)34(27-13-9-25(31)10-14-27)29(35)32-19-4-20-33-21-17-30(18-22-33)16-15-24-5-2-3-6-28(24)30/h2-3,5-14H,4,15-22H2,1H3,(H,32,35)
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n/an/a 340n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258274
PNG
(1-(3,4-difluorophenyl)-3-(3-(2,3-dihydrospiro[inde...)
Show SMILES Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H33F2N3O/c1-22-7-9-24(10-8-22)35(25-11-12-27(31)28(32)21-25)29(36)33-17-4-18-34-19-15-30(16-20-34)14-13-23-5-2-3-6-26(23)30/h2-3,5-12,21H,4,13-20H2,1H3,(H,33,36)
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n/an/a 350n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258276
PNG
(1-(3-(3H-spiro[isobenzofuran-1,4'-piperidine]-1'-y...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)N(c1ccc(C)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H33F2N3O2/c1-22-8-10-24(11-9-22)35(25-12-13-27(31)28(32)20-25)29(36)33(2)16-5-17-34-18-14-30(15-19-34)26-7-4-3-6-23(26)21-37-30/h3-4,6-13,20H,5,14-19,21H2,1-2H3
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n/an/a 470n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258844
PNG
(3-(3-(2,3-dihydrospiro[indene-1,4'-piperidine]-1'-...)
Show SMILES Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1cccc(F)c1
Show InChI InChI=1S/C30H34FN3O/c1-23-10-12-26(13-11-23)34(27-8-4-7-25(31)22-27)29(35)32-18-5-19-33-20-16-30(17-21-33)15-14-24-6-2-3-9-28(24)30/h2-4,6-13,22H,5,14-21H2,1H3,(H,32,35)
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n/an/a 490n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258843
PNG
(3-(3-(2,3-dihydrospiro[indene-1,4'-piperidine]-1'-...)
Show SMILES Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1ccc(C)cc1
Show InChI InChI=1S/C31H37N3O/c1-24-8-12-27(13-9-24)34(28-14-10-25(2)11-15-28)30(35)32-20-5-21-33-22-18-31(19-23-33)17-16-26-6-3-4-7-29(26)31/h3-4,6-15H,5,16-23H2,1-2H3,(H,32,35)
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n/an/a 540n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258315
PNG
((+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccccc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H32F2N2O2/c1-33(29(35)28(22-8-3-2-4-9-22)23-12-13-26(31)27(32)20-23)16-7-17-34-18-14-30(15-19-34)25-11-6-5-10-24(25)21-36-30/h2-6,8-13,20,28H,7,14-19,21H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258277
PNG
(1-(3-(3H-spiro[isobenzofuran-1,4'-piperidine]-1'-y...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)N(c1ccccc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C29H31F2N3O2/c1-32(28(35)34(23-9-3-2-4-10-23)24-12-13-26(30)27(31)20-24)16-7-17-33-18-14-29(15-19-33)25-11-6-5-8-22(25)21-36-29/h2-6,8-13,20H,7,14-19,21H2,1H3
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n/an/a 920n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258449
PNG
((+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(N1CCCC1=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C28H33F2N3O3/c1-31(27(35)26(33-15-4-8-25(33)34)20-9-10-23(29)24(30)18-20)13-5-14-32-16-11-28(12-17-32)22-7-3-2-6-21(22)19-36-28/h2-3,6-7,9-10,18,26H,4-5,8,11-17,19H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2


(Homo sapiens (Human))		BDBM50258478
PNG
(2-(3,4-difluorophenyl)-N-(3-(6-fluoro-1H-spiro[fur...)
Show SMILES FCCN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C27H29F4N5O2/c28-7-14-35(26(37)25(36-11-1-8-33-36)19-3-4-22(29)23(30)15-19)10-2-9-34-12-5-27(6-13-34)21-17-32-24(31)16-20(21)18-38-27/h1,3-4,8,11,15-17,25H,2,5-7,9-10,12-14,18H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR2 (unknown origin)

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258448
PNG
((+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(N1CCCC1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C28H35F2N3O2/c1-31(27(34)26(33-15-4-5-16-33)21-9-10-24(29)25(30)19-21)13-6-14-32-17-11-28(12-18-32)23-8-3-2-7-22(23)20-35-28/h2-3,7-10,19,26H,4-6,11-18,20H2,1H3
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n/an/a 1.16E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258419
PNG
((+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccc(F)c(F)c1)n1cncn1
Show InChI InChI=1S/C26H29F2N5O2/c1-31(25(34)24(33-18-29-17-30-33)19-7-8-22(27)23(28)15-19)11-4-12-32-13-9-26(10-14-32)21-6-3-2-5-20(21)16-35-26/h2-3,5-8,15,17-18,24H,4,9-14,16H2,1H3
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n/an/a 1.91E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258420
PNG
((+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccc(F)c(F)c1)n1cnnn1
Show InChI InChI=1S/C25H28F2N6O2/c1-31(24(34)23(33-17-28-29-30-33)18-7-8-21(26)22(27)15-18)11-4-12-32-13-9-25(10-14-32)20-6-3-2-5-19(20)16-35-25/h2-3,5-8,15,17,23H,4,9-14,16H2,1H3
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n/an/a 1.91E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258418
PNG
((+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccc(F)c(F)c1)n1ccnn1
Show InChI InChI=1S/C26H29F2N5O2/c1-31(25(34)24(33-16-11-29-30-33)19-7-8-22(27)23(28)17-19)12-4-13-32-14-9-26(10-15-32)21-6-3-2-5-20(21)18-35-26/h2-3,5-8,11,16-17,24H,4,9-10,12-15,18H2,1H3
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n/an/a 1.92E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258417
PNG
((+/-)-N-(3-(3'H-spiro[cyclohexane-1,1'-isobenzofur...)
Show SMILES CN(CCCC1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C28H31F2N3O2/c1-32(27(34)26(33-17-5-15-31-33)21-9-10-24(29)25(30)18-21)16-4-6-20-11-13-28(14-12-20)23-8-3-2-7-22(23)19-35-28/h2-3,5,7-10,15,17-18,20,26H,4,6,11-14,16,19H2,1H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258477
PNG
(2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluoro-1H-s...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C27H30F3N5O2/c1-2-34(26(36)25(35-12-3-9-32-35)19-5-6-22(28)23(29)15-19)11-4-10-33-13-7-27(8-14-33)21-17-31-24(30)16-20(21)18-37-27/h3,5-6,9,12,15-17,25H,2,4,7-8,10-11,13-14,18H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258478
PNG
(2-(3,4-difluorophenyl)-N-(3-(6-fluoro-1H-spiro[fur...)
Show SMILES FCCN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C27H29F4N5O2/c28-7-14-35(26(37)25(36-11-1-8-33-36)19-3-4-22(29)23(30)15-19)10-2-9-34-12-5-27(6-13-34)21-17-32-24(31)16-20(21)18-38-27/h1,3-4,8,11,15-17,25H,2,5-7,9-10,12-14,18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50258450
PNG
((+/-)-2-(3,4-difluorophenyl)-N-(3-(6-fluoro-1H-spi...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C26H28F3N5O2/c1-32(25(35)24(34-11-2-8-31-34)18-4-5-21(27)22(28)14-18)9-3-10-33-12-6-26(7-13-33)20-16-30-23(29)15-19(20)17-36-26/h2,4-5,8,11,14-16,24H,3,6-7,9-10,12-13,17H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells

Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%