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PubMed code 17125262

Compile data set for download or QSAR
Found 42 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


(Homo sapiens (human))
BDBM50199205
PNG
(6-(4-chlorophenyl)-3-{2-[(dimethylamino)methyl]-6-...)
Show SMILES CN(C)Cc1ccc2cc(ccc2n1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H19ClN4OS/c1-28(2)13-18-8-5-16-11-19(9-10-20(16)27-18)29-14-26-21-12-22(31-23(21)24(29)30)15-3-6-17(25)7-4-15/h3-12,14H,13H2,1-2H3
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n/an/a 0.740n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199202
PNG
(6-(4-chlorophenyl)-3-[2-(1-piperidinylmethyl)-6-qu...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCCCC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C27H23ClN4OS/c28-20-7-4-18(5-8-20)25-15-24-26(34-25)27(33)32(17-29-24)22-10-11-23-19(14-22)6-9-21(30-23)16-31-12-2-1-3-13-31/h4-11,14-15,17H,1-3,12-13,16H2
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n/an/a 0.890n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199219
PNG
(6-(4-chlorophenyl)-3-[2-(1-pyrrolidinylmethyl)-6-q...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCCC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C26H21ClN4OS/c27-19-6-3-17(4-7-19)24-14-23-25(33-24)26(32)31(16-28-23)21-9-10-22-18(13-21)5-8-20(29-22)15-30-11-1-2-12-30/h3-10,13-14,16H,1-2,11-12,15H2
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199229
PNG
(6-(4-chlorophenyl)-3-{2-[(4-phenyl-1-piperidinyl)m...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCC(CC5)c5ccccc5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C33H27ClN4OS/c34-26-9-6-24(7-10-26)31-19-30-32(40-31)33(39)38(21-35-30)28-12-13-29-25(18-28)8-11-27(36-29)20-37-16-14-23(15-17-37)22-4-2-1-3-5-22/h1-13,18-19,21,23H,14-17,20H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199223
PNG
(6-(4-chlorophenyl)-3-[2-({4-[2-(1-pyrrolidinyl)eth...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCC(CCN6CCCC6)CC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C33H34ClN5OS/c34-26-6-3-24(4-7-26)31-20-30-32(41-31)33(40)39(22-35-30)28-9-10-29-25(19-28)5-8-27(36-29)21-38-17-12-23(13-18-38)11-16-37-14-1-2-15-37/h3-10,19-20,22-23H,1-2,11-18,21H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199214
PNG
(6-(4-chlorophenyl)-3-[2-(1H-imidazol-1-ylmethyl)-6...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(Cn5ccnc5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C25H16ClN5OS/c26-18-4-1-16(2-5-18)23-12-22-24(33-23)25(32)31(15-28-22)20-7-8-21-17(11-20)3-6-19(29-21)13-30-10-9-27-14-30/h1-12,14-15H,13H2
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199206
PNG
(6-(4-chlorophenyl)-3-[2-(1-pyrrolidinylmethyl)-3,4...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4OC(CN5CCCC5)CNc4c3)c(=O)c2s1
Show InChI InChI=1S/C25H23ClN4O2S/c26-17-5-3-16(4-6-17)23-12-21-24(33-23)25(31)30(15-28-21)18-7-8-22-20(11-18)27-13-19(32-22)14-29-9-1-2-10-29/h3-8,11-12,15,19,27H,1-2,9-10,13-14H2
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n/an/a 2.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199236
PNG
(6-(4-chlorophenyl)-3-{2-[(4-methyl-1-piperazinyl)m...)
Show SMILES CN1CCN(Cc2ccc3cc(ccc3n2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C27H24ClN5OS/c1-31-10-12-32(13-11-31)16-21-7-4-19-14-22(8-9-23(19)30-21)33-17-29-24-15-25(35-26(24)27(33)34)18-2-5-20(28)6-3-18/h2-9,14-15,17H,10-13,16H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199240
PNG
(6-(4-chlorophenyl)-3-(2-{[4-(4-fluorophenyl)-1-pip...)
Show SMILES Fc1ccc(cc1)C1CCN(Cc2ccc3cc(ccc3n2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C33H26ClFN4OS/c34-25-6-1-23(2-7-25)31-18-30-32(41-31)33(40)39(20-36-30)28-11-12-29-24(17-28)5-10-27(37-29)19-38-15-13-22(14-16-38)21-3-8-26(35)9-4-21/h1-12,17-18,20,22H,13-16,19H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199204
PNG
(6-(4-chlorophenyl)-3-{(2R)-2-[(dimethylamino)methy...)
Show SMILES CN(C)C[C@@H]1COc2cc(ccc2O1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClN3O3S/c1-26(2)11-17-12-29-20-9-16(7-8-19(20)30-17)27-13-25-18-10-21(31-22(18)23(27)28)14-3-5-15(24)6-4-14/h3-10,13,17H,11-12H2,1-2H3/t17-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199228
PNG
(6-(4-chlorophenyl)-3-{2-[(dimethylamino)methyl]-3,...)
Show SMILES CN(C)CC1CNc2cc(ccc2O1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN4O2S/c1-27(2)12-17-11-25-18-9-16(7-8-20(18)30-17)28-13-26-19-10-21(31-22(19)23(28)29)14-3-5-15(24)6-4-14/h3-10,13,17,25H,11-12H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199203
PNG
(6-(4-chlorophenyl)-3-(2-{[(3R)-3-hydroxy-1-pyrroli...)
Show SMILES O[C@@H]1CCN(CC2CNc3cc(ccc3O2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)C1
Show InChI InChI=1S/C25H23ClN4O3S/c26-16-3-1-15(2-4-16)23-10-21-24(34-23)25(32)30(14-28-21)17-5-6-22-20(9-17)27-11-19(33-22)13-29-8-7-18(31)12-29/h1-6,9-10,14,18-19,27,31H,7-8,11-13H2/t18-,19?/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199212
PNG
(6-(4-chlorophenyl)-3-[2-(hydroxymethyl)-6-quinolin...)
Show SMILES OCc1ccc2cc(ccc2n1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClN3O2S/c23-15-4-1-13(2-5-15)20-10-19-21(29-20)22(28)26(12-24-19)17-7-8-18-14(9-17)3-6-16(11-27)25-18/h1-10,12,27H,11H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199217
PNG
(6-(4-chlorophenyl)-3-{2-[(4-methyl-1-piperazinyl)m...)
Show SMILES CN1CCN(CC2CNc3cc(ccc3O2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C26H26ClN5O2S/c1-30-8-10-31(11-9-30)15-20-14-28-21-12-19(6-7-23(21)34-20)32-16-29-22-13-24(35-25(22)26(32)33)17-2-4-18(27)5-3-17/h2-7,12-13,16,20,28H,8-11,14-15H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199215
PNG
(6-(4-chlorophenyl)-3-{2-[(4-phenyl-1-piperazinyl)m...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCN(CC5)c5ccccc5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C32H26ClN5OS/c33-24-9-6-22(7-10-24)30-19-29-31(40-30)32(39)38(21-34-29)27-12-13-28-23(18-27)8-11-25(35-28)20-36-14-16-37(17-15-36)26-4-2-1-3-5-26/h1-13,18-19,21H,14-17,20H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199216
PNG
(6-(4-chlorophenyl)-3-[2-(4-morpholinylmethyl)-6-qu...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCOCC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C26H21ClN4O2S/c27-19-4-1-17(2-5-19)24-14-23-25(34-24)26(32)31(16-28-23)21-7-8-22-18(13-21)3-6-20(29-22)15-30-9-11-33-12-10-30/h1-8,13-14,16H,9-12,15H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199234
PNG
(6-(4-chlorophenyl)-3-(2-{[(3S)-3-hydroxy-1-pyrroli...)
Show SMILES O[C@H]1CCN(CC2CNc3cc(ccc3O2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)C1
Show InChI InChI=1S/C25H23ClN4O3S/c26-16-3-1-15(2-4-16)23-10-21-24(34-23)25(32)30(14-28-21)17-5-6-22-20(9-17)27-11-19(33-22)13-29-8-7-18(31)12-29/h1-6,9-10,14,18-19,27,31H,7-8,11-13H2/t18-,19?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199241
PNG
(6-(4-chlorophenyl)-3-(2-{[4-(1-pyrrolidinyl)-1-pip...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCC(CC5)N5CCCC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C31H30ClN5OS/c32-23-6-3-21(4-7-23)29-18-28-30(39-29)31(38)37(20-33-28)26-9-10-27-22(17-26)5-8-24(34-27)19-35-15-11-25(12-16-35)36-13-1-2-14-36/h3-10,17-18,20,25H,1-2,11-16,19H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199235
PNG
(6-(4-chlorophenyl)-3-[2-({4-[4-(trifluoromethyl)ph...)
Show SMILES FC(F)(F)c1ccc(cc1)C1CCN(Cc2ccc3cc(ccc3n2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C34H26ClF3N4OS/c35-26-8-3-23(4-9-26)31-18-30-32(44-31)33(43)42(20-39-30)28-11-12-29-24(17-28)5-10-27(40-29)19-41-15-13-22(14-16-41)21-1-6-25(7-2-21)34(36,37)38/h1-12,17-18,20,22H,13-16,19H2
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n/an/a 6.10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199211
PNG
(6-(4-chlorophenyl)-3-{2-[(4-ethyl-1-piperazinyl)me...)
Show SMILES CCN1CCN(Cc2ccc3cc(ccc3n2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C28H26ClN5OS/c1-2-32-11-13-33(14-12-32)17-22-8-5-20-15-23(9-10-24(20)31-22)34-18-30-25-16-26(36-27(25)28(34)35)19-3-6-21(29)7-4-19/h3-10,15-16,18H,2,11-14,17H2,1H3
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n/an/a 6.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199209
PNG
((R)-6-(4-chlorophenyl)-3-(2-(cyclopentylmethyl)-2,...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4O[C@H](CN5CCCC5)COc4c3)c(=O)c2s1
Show InChI InChI=1S/C25H22ClN3O3S/c26-17-5-3-16(4-6-17)23-12-20-24(33-23)25(30)29(15-27-20)18-7-8-21-22(11-18)31-14-19(32-21)13-28-9-1-2-10-28/h3-8,11-12,15,19H,1-2,9-10,13-14H2/t19-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199239
PNG
(6-(4-chlorophenyl)-3-{2-[(dimethylamino)methyl]-2,...)
Show SMILES CN(C)CC1COc2cc(ccc2O1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClN3O3S/c1-26(2)11-17-12-29-20-9-16(7-8-19(20)30-17)27-13-25-18-10-21(31-22(18)23(27)28)14-3-5-15(24)6-4-14/h3-10,13,17H,11-12H2,1-2H3
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n/an/a 7.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199207
PNG
(6-(4-chlorophenyl)-3-[2-(4-morpholinylmethyl)-3,4-...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4OC(CN5CCOCC5)CNc4c3)c(=O)c2s1
Show InChI InChI=1S/C25H23ClN4O3S/c26-17-3-1-16(2-4-17)23-12-21-24(34-23)25(31)30(15-28-21)18-5-6-22-20(11-18)27-13-19(33-22)14-29-7-9-32-10-8-29/h1-6,11-12,15,19,27H,7-10,13-14H2
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n/an/a 8.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199208
PNG
(6-(4-chlorophenyl)-3-[2-({4-[2-(4-morpholinyl)ethy...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCN(CCN6CCOCC6)CC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C32H33ClN6O2S/c33-25-4-1-23(2-5-25)30-20-29-31(42-30)32(40)39(22-34-29)27-7-8-28-24(19-27)3-6-26(35-28)21-38-13-11-36(12-14-38)9-10-37-15-17-41-18-16-37/h1-8,19-20,22H,9-18,21H2
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n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199233
PNG
(6-(4-chlorophenyl)-3-(2-{[(2S)-2-(methoxymethyl)py...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4O[C@@H](CN5CCCC5)COc4c3)c(=O)c2s1
Show InChI InChI=1S/C25H22ClN3O3S/c26-17-5-3-16(4-6-17)23-12-20-24(33-23)25(30)29(15-27-20)18-7-8-21-22(11-18)31-14-19(32-21)13-28-9-1-2-10-28/h3-8,11-12,15,19H,1-2,9-10,13-14H2/t19-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199222
PNG
(6-(4-chlorophenyl)-3-{(2S)-2-[(dimethylamino)methy...)
Show SMILES CN(C)C[C@H]1COc2cc(ccc2O1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClN3O3S/c1-26(2)11-17-12-29-20-9-16(7-8-19(20)30-17)27-13-25-18-10-21(31-22(18)23(27)28)14-3-5-15(24)6-4-14/h3-10,13,17H,11-12H2,1-2H3/t17-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199220
PNG
(6-[4-(methyloxy)phenyl]-3-[2-(4-morpholinylmethyl)...)
Show SMILES COc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCOCC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C27H24N4O3S/c1-33-22-7-3-18(4-8-22)25-15-24-26(35-25)27(32)31(17-28-24)21-6-9-23-19(14-21)2-5-20(29-23)16-30-10-12-34-13-11-30/h2-9,14-15,17H,10-13,16H2,1H3
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n/an/a 31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199238
PNG
(3-[2-(4-morpholinylmethyl)-6-quinolinyl]-6-[4-(tri...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCOCC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C27H21F3N4O2S/c28-27(29,30)19-4-1-17(2-5-19)24-14-23-25(37-24)26(35)34(16-31-23)21-7-8-22-18(13-21)3-6-20(32-22)15-33-9-11-36-12-10-33/h1-8,13-14,16H,9-12,15H2
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n/an/a 36n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199221
PNG
(6-(4-chlorophenyl)-3-[2-({4-[3-(4-morpholinyl)prop...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCN(CCCN6CCOCC6)CC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C33H35ClN6O2S/c34-26-5-2-24(3-6-26)31-21-30-32(43-31)33(41)40(23-35-30)28-8-9-29-25(20-28)4-7-27(36-29)22-39-14-12-37(13-15-39)10-1-11-38-16-18-42-19-17-38/h2-9,20-21,23H,1,10-19,22H2
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n/an/a 37n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199218
PNG
(6-(4-bromophenyl)-3-[2-(4-morpholinylmethyl)-6-qui...)
Show SMILES Brc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCOCC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C26H21BrN4O2S/c27-19-4-1-17(2-5-19)24-14-23-25(34-24)26(32)31(16-28-23)21-7-8-22-18(13-21)3-6-20(29-22)15-30-9-11-33-12-10-30/h1-8,13-14,16H,9-12,15H2
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199231
PNG
(6-(4-chlorophenyl)-3-(6-quinolinyl)thieno[3,2-d]py...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4ncccc4c3)c(=O)c2s1
Show InChI InChI=1S/C21H12ClN3OS/c22-15-5-3-13(4-6-15)19-11-18-20(27-19)21(26)25(12-24-18)16-7-8-17-14(10-16)2-1-9-23-17/h1-12H
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199224
PNG
(6-(4-chlorophenyl)-3-(2-{[methyl(phenyl)amino]meth...)
Show SMILES CN(Cc1ccc2cc(ccc2n1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C29H21ClN4OS/c1-33(23-5-3-2-4-6-23)17-22-12-9-20-15-24(13-14-25(20)32-22)34-18-31-26-16-27(36-28(26)29(34)35)19-7-10-21(30)11-8-19/h2-16,18H,17H2,1H3
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n/an/a 87n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199213
PNG
(6-[4-(1-methylpropyl)phenyl]-3-[2-(4-morpholinylme...)
Show SMILES CCC(C)c1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCOCC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C30H30N4O2S/c1-3-20(2)21-4-6-22(7-5-21)28-17-27-29(37-28)30(35)34(19-31-27)25-10-11-26-23(16-25)8-9-24(32-26)18-33-12-14-36-15-13-33/h4-11,16-17,19-20H,3,12-15,18H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199242
PNG
(6-(4-cyano)-3-[2-(4-morpholinylmethyl)-6-quinoliny...)
Show SMILES O=c1n(cnc2cc(sc12)-c1ccc(cc1)C#N)-c1ccc2nc(CN3CCOCC3)ccc2c1
Show InChI InChI=1S/C27H21N5O2S/c28-15-18-1-3-19(4-2-18)25-14-24-26(35-25)27(33)32(17-29-24)22-7-8-23-20(13-22)5-6-21(30-23)16-31-9-11-34-12-10-31/h1-8,13-14,17H,9-12,16H2
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n/an/a 478n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199226
PNG
(6-(4-fluorophenyl)-3-[2-(4-morpholinylmethyl)-6-qu...)
Show SMILES Fc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCOCC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C26H21FN4O2S/c27-19-4-1-17(2-5-19)24-14-23-25(34-24)26(32)31(16-28-23)21-7-8-22-18(13-21)3-6-20(29-22)15-30-9-11-33-12-10-30/h1-8,13-14,16H,9-12,15H2
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199225
PNG
(6-[4-(1,1-dimethylethyl)phenyl]-3-[2-(4-morpholiny...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCOCC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C30H30N4O2S/c1-30(2,3)22-7-4-20(5-8-22)27-17-26-28(37-27)29(35)34(19-31-26)24-10-11-25-21(16-24)6-9-23(32-25)18-33-12-14-36-15-13-33/h4-11,16-17,19H,12-15,18H2,1-3H3
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199230
PNG
(3-[2-(4-morpholinylmethyl)-6-quinolinyl]-6-phenylt...)
Show SMILES O=c1n(cnc2cc(sc12)-c1ccccc1)-c1ccc2nc(CN3CCOCC3)ccc2c1
Show InChI InChI=1S/C26H22N4O2S/c31-26-25-23(15-24(33-25)18-4-2-1-3-5-18)27-17-30(26)21-8-9-22-19(14-21)6-7-20(28-22)16-29-10-12-32-13-11-29/h1-9,14-15,17H,10-13,16H2
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199237
PNG
(6-(2-chlorophenyl)-3-[2-(4-morpholinylmethyl)-6-qu...)
Show SMILES Clc1ccccc1-c1cc2ncn(-c3ccc4nc(CN5CCOCC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C26H21ClN4O2S/c27-21-4-2-1-3-20(21)24-14-23-25(34-24)26(32)31(16-28-23)19-7-8-22-17(13-19)5-6-18(29-22)15-30-9-11-33-12-10-30/h1-8,13-14,16H,9-12,15H2
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199210
PNG
(6-(3-chlorophenyl)-3-[2-(4-morpholinylmethyl)-6-qu...)
Show SMILES Clc1cccc(c1)-c1cc2ncn(-c3ccc4nc(CN5CCOCC5)ccc4c3)c(=O)c2s1
Show InChI InChI=1S/C26H21ClN4O2S/c27-19-3-1-2-18(12-19)24-14-23-25(34-24)26(32)31(16-28-23)21-6-7-22-17(13-21)4-5-20(29-22)15-30-8-10-33-11-9-30/h1-7,12-14,16H,8-11,15H2
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199227
PNG
(6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]-4-...)
Show SMILES CN(C)CC1CN(c2cc(ccc2O1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H23ClN4O4S2/c1-27(2)12-18-13-29(35(3,31)32)20-10-17(8-9-21(20)33-18)28-14-26-19-11-22(34-23(19)24(28)30)15-4-6-16(25)7-5-15/h4-11,14,18H,12-13H2,1-3H3
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n/an/a 4.17E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50199232
PNG
(6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]-4-...)
Show SMILES CN(C)CC1CN(c2cc(ccc2O1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H25ClN4O4S2/c1-32(2)16-22-17-34(40(36,37)23-6-4-3-5-7-23)25-14-21(12-13-26(25)38-22)33-18-31-24-15-27(39-28(24)29(33)35)19-8-10-20(30)11-9-19/h3-15,18,22H,16-17H2,1-2H3
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n/an/a 6.92E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50199236
PNG
(6-(4-chlorophenyl)-3-{2-[(4-methyl-1-piperazinyl)m...)
Show SMILES CN1CCN(Cc2ccc3cc(ccc3n2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C27H24ClN5OS/c1-31-10-12-32(13-11-31)16-21-7-4-19-14-22(8-9-23(19)30-21)33-17-29-24-15-25(35-26(24)27(33)34)18-2-5-20(28)6-3-18/h2-9,14-15,17H,10-13,16H2,1H3
PDB
MMDB

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n/an/a 2.19E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against hERG by patch-clamp assay


J Med Chem 49: 7095-107 (2006)


Article DOI: 10.1021/jm060572f
BindingDB Entry DOI: 10.7270/Q2P26XS8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%