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Compile Data Set for Download or QSAR

Found 306 hits with Last Name = 'mitchell' and Initial = 'c'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM12557
PNG
(6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20-/m0/s1
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1 -51.4n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12569
PNG
(GTC000006A | N-(6-chloronaphthalen-2-yl)-N'-[(3S)-...)
Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r|
Show InChI InChI=1S/C25H30ClN3O6S/c1-3-21(30)16-29(36(33,34)22-7-5-18-14-20(26)6-4-19(18)15-22)23-8-9-28(25(23)32)17(2)24(31)27-10-12-35-13-11-27/h4-7,14-15,17,23H,3,8-13,16H2,1-2H3/t17-,23-/m0/s1
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1 -51.4n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12558
PNG
(6-chloro-N-methyl-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(p...)
Show SMILES C[C@H](N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C23H28ClN3O4S/c1-16(22(28)26-11-4-3-5-12-26)27-13-10-21(23(27)29)25(2)32(30,31)20-9-7-17-14-19(24)8-6-18(17)15-20/h6-9,14-16,21H,3-5,10-13H2,1-2H3/t16-,21-/m0/s1
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2 -49.7n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12567
PNG
(2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...)
Show SMILES C[C@H](N1CC[C@H](N(CC(O)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H26ClN3O7S/c1-15(22(30)25-8-10-34-11-9-25)26-7-6-20(23(26)31)27(14-21(28)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H,28,29)/t15-,20-/m0/s1
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2 -49.7n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50198573
PNG
((S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydro...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
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3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12568
PNG
(2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...)
Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H27ClN4O6S/c1-15(22(30)26-8-10-34-11-9-26)27-7-6-20(23(27)31)28(14-21(25)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H2,25,29)/t15-,20-/m0/s1
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3 -48.6n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12561
PNG
(N-[(3S)-1-[(2S)-1-{2-azabicyclo[2.2.2]octan-2-yl}-...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CC2CCC1CC2 |r,wD:1.0,5.5,(24.17,-11.35,;25.5,-12.12,;26.84,-11.35,;26.95,-9.81,;28.44,-9.44,;29.26,-10.75,;30.79,-10.86,;31.46,-12.25,;30.13,-13.02,;31.86,-13.74,;33,-12.25,;33.71,-10.88,;35.25,-10.81,;36.08,-12.11,;37.62,-12.04,;38.45,-13.34,;39.99,-13.27,;37.74,-14.71,;36.2,-14.78,;35.37,-13.48,;33.83,-13.55,;28.26,-11.93,;28.63,-13.42,;25.5,-13.66,;26.84,-14.43,;24.17,-14.43,;22.84,-13.66,;21.5,-14.43,;21.5,-15.97,;22.84,-16.74,;24.17,-15.97,;22.43,-15.88,;22.37,-15.08,)|
Show InChI InChI=1S/C24H28ClN3O4S/c1-15(23(29)28-14-16-2-7-20(28)8-3-16)27-11-10-22(24(27)30)26-33(31,32)21-9-5-17-12-19(25)6-4-18(17)13-21/h4-6,9,12-13,15-16,20,22,26H,2-3,7-8,10-11,14H2,1H3/t15-,16?,20?,22-/m0/s1
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3 -48.6n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50198574
PNG
((S)-4-(4-chlorophenethyl)-1-(6-((diethylamino)-met...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(Cl)cc2)CC1=O
Show InChI InChI=1S/C27H36ClN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 819-22 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.052
BindingDB Entry DOI: 10.7270/Q2736QKD
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50198574
PNG
((S)-4-(4-chlorophenethyl)-1-(6-((diethylamino)-met...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(Cl)cc2)CC1=O
Show InChI InChI=1S/C27H36ClN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
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4n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50203064
PNG
((S)-4-(4-bromophenethyl)-1-(6-((diethylamino)-meth...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(Br)cc2)CC1=O
Show InChI InChI=1S/C27H36BrN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
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4n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12538
PNG
(6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1
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6 -46.9n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50203054
PNG
(4'-fluoro-biphenyl-4-carboxylic acid [2-(4-dimethy...)
Show SMILES CN(C)Cc1ccc(CCN(C)C(=O)c2ccc(cc2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H27FN2O/c1-27(2)18-20-6-4-19(5-7-20)16-17-28(3)25(29)23-10-8-21(9-11-23)22-12-14-24(26)15-13-22/h4-15H,16-18H2,1-3H3
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7n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192169
PNG
((R)-3,5-dimethoxy-N-(1-(naphthalen-2-ylmethyl)pyrr...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1CCN(Cc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C24H26N2O3/c1-28-22-12-20(13-23(14-22)29-2)24(27)25-21-9-10-26(16-21)15-17-7-8-18-5-3-4-6-19(18)11-17/h3-8,11-14,21H,9-10,15-16H2,1-2H3,(H,25,27)/t21-/m1/s1
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7n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50241095
PNG
((S)-N-(6-((dimethylamino)methyl)-1,2,3,4-tetrahydr...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H29FN2O/c1-29(2)18-19-4-5-24-17-26(15-12-23(24)16-19)30(3)27(31)22-8-6-20(7-9-22)21-10-13-25(28)14-11-21/h4-11,13-14,16,26H,12,15,17-18H2,1-3H3/t26-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192189
PNG
(3,4,5-trifluoro-N-(1-(naphthalen-2-ylmethyl)piperi...)
Show SMILES Fc1cc(cc(F)c1F)C(=O)NC1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C23H21F3N2O/c24-20-12-18(13-21(25)22(20)26)23(29)27-19-7-9-28(10-8-19)14-15-5-6-16-3-1-2-4-17(16)11-15/h1-6,11-13,19H,7-10,14H2,(H,27,29)
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9n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12566
PNG
(6-chloro-N-methyl-N-[(3S)-1-[(2S)-1-(morpholin-4-y...)
Show SMILES C[C@H](N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C22H26ClN3O5S/c1-15(21(27)25-9-11-31-12-10-25)26-8-7-20(22(26)28)24(2)32(29,30)19-6-4-16-13-18(23)5-3-17(16)14-19/h3-6,13-15,20H,7-12H2,1-2H3/t15-,20-/m0/s1
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10 -45.7n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50203063
PNG
((S)-4-(3-fluorophenethyl)-1-(6-((diethylamino)-met...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2cccc(F)c2)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-8-9-24-18-26(11-10-23(24)16-22)31-15-14-30(20-27(31)32)13-12-21-6-5-7-25(28)17-21/h5-9,16-17,26H,3-4,10-15,18-20H2,1-2H3/t26-/m0/s1
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10n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50200748
PNG
(1-(4-(piperidin-1-ylmethyl)phenethyl)-4-phenethylp...)
Show SMILES O=C1CN(CCc2ccccc2)CCN1CCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H35N3O/c30-26-22-28(17-13-23-7-3-1-4-8-23)19-20-29(26)18-14-24-9-11-25(12-10-24)21-27-15-5-2-6-16-27/h1,3-4,7-12H,2,5-6,13-22H2
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11n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50198501
PNG
((S)-5-(4-chlorophenyl)-N-(6-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28ClN3O/c1-29(2)17-18-4-5-21-15-24(12-8-20(21)14-18)30(3)26(31)25-13-9-22(16-28-25)19-6-10-23(27)11-7-19/h4-7,9-11,13-14,16,24H,8,12,15,17H2,1-3H3/t24-/m0/s1
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11n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50200748
PNG
(1-(4-(piperidin-1-ylmethyl)phenethyl)-4-phenethylp...)
Show SMILES O=C1CN(CCc2ccccc2)CCN1CCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H35N3O/c30-26-22-28(17-13-23-7-3-1-4-8-23)19-20-29(26)18-14-24-9-11-25(12-10-24)21-27-15-5-2-6-16-27/h1,3-4,7-12H,2,5-6,13-22H2
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11n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50198502
PNG
((S)-6-(4-chlorophenyl)-N-(6-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(nc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28ClN3O/c1-29(2)17-18-4-5-21-15-24(12-8-20(21)14-18)30(3)26(31)22-9-13-25(28-16-22)19-6-10-23(27)11-7-19/h4-7,9-11,13-14,16,24H,8,12,15,17H2,1-3H3/t24-/m0/s1
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12n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50203055
PNG
((S)-4-(2-fluorophenethyl)-1-(6-((diethylamino)-met...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccccc2F)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-21-9-10-24-18-25(12-11-23(24)17-21)31-16-15-30(20-27(31)32)14-13-22-7-5-6-8-26(22)28/h5-10,17,25H,3-4,11-16,18-20H2,1-2H3/t25-/m0/s1
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12n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168507
PNG
((E)-N-(1-cinnamylpiperidin-4-yl)-3,5-dimethoxybenz...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C23H28N2O3/c1-27-21-15-19(16-22(17-21)28-2)23(26)24-20-10-13-25(14-11-20)12-6-9-18-7-4-3-5-8-18/h3-9,15-17,20H,10-14H2,1-2H3,(H,24,26)/b9-6+
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12n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192178
PNG
(3,5-dimethoxy-N-((3R)-1-(1-(naphthalen-2-yl)ethyl)...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1CCN(C1)C(C)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H28N2O3/c1-17(19-9-8-18-6-4-5-7-20(18)12-19)27-11-10-22(16-27)26-25(28)21-13-23(29-2)15-24(14-21)30-3/h4-9,12-15,17,22H,10-11,16H2,1-3H3,(H,26,28)/t17?,22-/m1/s1
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12n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192174
PNG
(4-fluoro-3-methoxy-N-(1-(naphthalen-2-ylmethyl)pip...)
Show SMILES COc1cc(ccc1F)C(=O)NC1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H25FN2O2/c1-29-23-15-20(8-9-22(23)25)24(28)26-21-10-12-27(13-11-21)16-17-6-7-18-4-2-3-5-19(18)14-17/h2-9,14-15,21H,10-13,16H2,1H3,(H,26,28)
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13n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12562
PNG
(6-chloro-N-[(3S)-1-[(2S)-1-[(1R,5S)-3,7-diazabicyc...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1C[C@H]2CNC[C@H](C2)C1 |r|
Show InChI InChI=1S/C24H29ClN4O4S/c1-15(23(30)28-13-16-8-17(14-28)12-26-11-16)29-7-6-22(24(29)31)27-34(32,33)21-5-3-18-9-20(25)4-2-19(18)10-21/h2-5,9-10,15-17,22,26-27H,6-8,11-14H2,1H3/t15-,16-,17+,22-/m0/s1
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13 -45.0n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50200742
PNG
(7-(4-fluorophenethyl)-2-(4-(piperidin-1-ylmethyl)p...)
Show SMILES Fc1ccc(CCc2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3c2)cc1
Show InChI InChI=1S/C29H34FN3O/c30-27-12-10-23(11-13-27)6-9-26-20-28-29(34)32(18-19-33(28)22-26)17-14-24-4-7-25(8-5-24)21-31-15-2-1-3-16-31/h4-5,7-8,10-13,20,22H,1-3,6,9,14-19,21H2
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15n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50198573
PNG
((S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydro...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
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15n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of binding to MCH-R1


Bioorg Med Chem Lett 17: 819-22 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.052
BindingDB Entry DOI: 10.7270/Q2736QKD
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50203059
PNG
((S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydro...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccccc2)CC1=O
Show InChI InChI=1S/C27H37N3O/c1-3-28(4-2)20-23-10-11-25-19-26(13-12-24(25)18-23)30-17-16-29(21-27(30)31)15-14-22-8-6-5-7-9-22/h5-11,18,26H,3-4,12-17,19-21H2,1-2H3/t26-/m0/s1
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16n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12574
PNG
(6-chloro-N-[(3R)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-...)
Show SMILES C[C@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20+/m0/s1
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16 -44.5n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192163
PNG
((R,E)-N-(1-cinnamylpyrrolidin-3-yl)-3,5-dimethoxyb...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1CCN(C\C=C\c2ccccc2)C1
Show InChI InChI=1S/C22H26N2O3/c1-26-20-13-18(14-21(15-20)27-2)22(25)23-19-10-12-24(16-19)11-6-9-17-7-4-3-5-8-17/h3-9,13-15,19H,10-12,16H2,1-2H3,(H,23,25)/b9-6+/t19-/m1/s1
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17n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192161
PNG
(3,4-difluoro-N-(1-(naphthalen-2-ylmethyl)piperidin...)
Show SMILES Fc1ccc(cc1F)C(=O)NC1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C23H22F2N2O/c24-21-8-7-19(14-22(21)25)23(28)26-20-9-11-27(12-10-20)15-16-5-6-17-3-1-2-4-18(17)13-16/h1-8,13-14,20H,9-12,15H2,(H,26,28)
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18n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50198499
PNG
((S)-4-(5-chloropyridin-2-yl)-N-(6-((dimethylamino)...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(Cl)cn1
Show InChI InChI=1S/C26H28ClN3O/c1-29(2)17-18-4-5-22-15-24(12-10-21(22)14-18)30(3)26(31)20-8-6-19(7-9-20)25-13-11-23(27)16-28-25/h4-9,11,13-14,16,24H,10,12,15,17H2,1-3H3/t24-/m0/s1
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18n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50203061
PNG
((S)-4-(3-chlorophenethyl)-1-(6-((diethylamino)-met...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2cccc(Cl)c2)CC1=O
Show InChI InChI=1S/C27H36ClN3O/c1-3-29(4-2)19-22-8-9-24-18-26(11-10-23(24)16-22)31-15-14-30(20-27(31)32)13-12-21-6-5-7-25(28)17-21/h5-9,16-17,26H,3-4,10-15,18-20H2,1-2H3/t26-/m0/s1
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19n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50203057
PNG
(4'-fluoro-biphenyl-4-carboxylic acid [2-(4-dimethy...)
Show SMILES CN(C)Cc1ccc(CCNC(=O)c2ccc(cc2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H25FN2O/c1-27(2)17-19-5-3-18(4-6-19)15-16-26-24(28)22-9-7-20(8-10-22)21-11-13-23(25)14-12-21/h3-14H,15-17H2,1-2H3,(H,26,28)
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19n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50198495
PNG
((S)-N-(6-((dimethylamino)methyl)-1,2,3,4-tetrahydr...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H28FN3O/c1-29(2)17-18-4-5-21-15-24(12-8-20(21)14-18)30(3)26(31)25-13-9-22(16-28-25)19-6-10-23(27)11-7-19/h4-7,9-11,13-14,16,24H,8,12,15,17H2,1-3H3/t24-/m0/s1
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20n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50200744
PNG
(CHEMBL408198 | N-(3-fluorophenyl)-4-oxo-5-(4-(pipe...)
Show SMILES Fc1cccc(NC(=O)c2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3n2)c1
Show InChI InChI=1S/C27H30FN5O2/c28-22-5-4-6-23(17-22)29-26(34)24-18-25-27(35)32(15-16-33(25)30-24)14-11-20-7-9-21(10-8-20)19-31-12-2-1-3-13-31/h4-10,17-18H,1-3,11-16,19H2,(H,29,34)
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22n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192162
PNG
(3,5-dimethoxy-N-((3R)-1-((E)-4-phenylbut-3-en-2-yl...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1CCN(C1)C(C)\C=C\c1ccccc1
Show InChI InChI=1S/C23H28N2O3/c1-17(9-10-18-7-5-4-6-8-18)25-12-11-20(16-25)24-23(26)19-13-21(27-2)15-22(14-19)28-3/h4-10,13-15,17,20H,11-12,16H2,1-3H3,(H,24,26)/b10-9+/t17?,20-/m1/s1
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23n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50200745
PNG
(7-(4-fluorophenyl)-2-(4-(piperidin-1-ylmethyl)phen...)
Show SMILES Fc1ccc(cc1)-c1cc2C(=O)N(CCc3ccc(CN4CCCCC4)cc3)CCn2c1
Show InChI InChI=1S/C27H30FN3O/c28-25-10-8-23(9-11-25)24-18-26-27(32)30(16-17-31(26)20-24)15-12-21-4-6-22(7-5-21)19-29-13-2-1-3-14-29/h4-11,18,20H,1-3,12-17,19H2
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23n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50198500
PNG
((S)-N-(6-(((2-(dimethylamino)-2-oxoethyl)(methyl)a...)
Show SMILES CN(CC(=O)N(C)C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H34FN3O2/c1-32(2)29(35)20-33(3)19-21-5-6-26-18-28(16-13-25(26)17-21)34(4)30(36)24-9-7-22(8-10-24)23-11-14-27(31)15-12-23/h5-12,14-15,17,28H,13,16,18-20H2,1-4H3/t28-/m0/s1
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24n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192160
PNG
(3,5-dimethoxy-N-(1-(1-(naphthalen-2-yl)ethyl)piper...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCN(CC1)C(C)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N2O3/c1-18(20-9-8-19-6-4-5-7-21(19)14-20)28-12-10-23(11-13-28)27-26(29)22-15-24(30-2)17-25(16-22)31-3/h4-9,14-18,23H,10-13H2,1-3H3,(H,27,29)
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25n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50203056
PNG
(CHEMBL388181 | N-(4'-fluoro-biphenyl-4-yl)-3-(4-pi...)
Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)CCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C27H29FN2O/c28-25-13-9-23(10-14-25)24-11-15-26(16-12-24)29-27(31)17-8-21-4-6-22(7-5-21)20-30-18-2-1-3-19-30/h4-7,9-16H,1-3,8,17-20H2,(H,29,31)
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25n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192177
PNG
(3,5-dimethoxy-N-(1-(naphthalen-2-ylmethyl)piperidi...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H28N2O3/c1-29-23-14-21(15-24(16-23)30-2)25(28)26-22-9-11-27(12-10-22)17-18-7-8-19-5-3-4-6-20(19)13-18/h3-8,13-16,22H,9-12,17H2,1-2H3,(H,26,28)
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27n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192165
PNG
(3-methoxy-N-(1-(naphthalen-2-ylmethyl)piperidin-4-...)
Show SMILES COc1cccc(c1)C(=O)NC1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H26N2O2/c1-28-23-8-4-7-21(16-23)24(27)25-22-11-13-26(14-12-22)17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16,22H,11-14,17H2,1H3,(H,25,27)
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29n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50191756
PNG
(4'-fluoro-biphenyl-4-carboxylic acid methyl-(3-pip...)
Show SMILES CN(Cc1cccc2cc(CN3CCCCC3)cnc12)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H30FN3O/c1-33(30(35)25-10-8-23(9-11-25)24-12-14-28(31)15-13-24)21-27-7-5-6-26-18-22(19-32-29(26)27)20-34-16-3-2-4-17-34/h5-15,18-19H,2-4,16-17,20-21H2,1H3
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31n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192182
PNG
(CHEMBL214778 | N-(1-((6-fluoronaphthalen-2-yl)meth...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1
Show InChI InChI=1S/C25H27FN2O3/c1-30-23-13-20(14-24(15-23)31-2)25(29)27-22-7-9-28(10-8-22)16-17-3-4-19-12-21(26)6-5-18(19)11-17/h3-6,11-15,22H,7-10,16H2,1-2H3,(H,27,29)
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32n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50198582
PNG
((S)-4-(2-cyclohexylethyl)-1-(6-((diethylamino)meth...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCC2CCCCC2)CC1=O
Show InChI InChI=1S/C27H43N3O/c1-3-28(4-2)20-23-10-11-25-19-26(13-12-24(25)18-23)30-17-16-29(21-27(30)31)15-14-22-8-6-5-7-9-22/h10-11,18,22,26H,3-9,12-17,19-21H2,1-2H3/t26-/m0/s1
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32n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 819-22 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.052
BindingDB Entry DOI: 10.7270/Q2736QKD
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192157
PNG
(4-fluoro-N-(1-(naphthalen-2-ylmethyl)piperidin-4-y...)
Show SMILES Fc1ccc(cc1)C(=O)NC1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C23H23FN2O/c24-21-9-7-19(8-10-21)23(27)25-22-11-13-26(14-12-22)16-17-5-6-18-3-1-2-4-20(18)15-17/h1-10,15,22H,11-14,16H2,(H,25,27)
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36n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12573
PNG
(6-chloro-N-[(3R)-2-oxo-1-[(2R)-1-oxo-1-(piperidin-...)
Show SMILES C[C@@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20-/m1/s1
PDB
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40 -42.2n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192173
PNG
((1R,5S,6r)-N-(3,4-difluorobenzyl)-3-(naphthalen-2-...)
Show SMILES Fc1ccc(CNC(=O)[C@@H]2[C@H]3CN(Cc4ccc5ccccc5c4)C[C@@H]23)cc1F
Show InChI InChI=1S/C24H22F2N2O/c25-21-8-6-15(10-22(21)26)11-27-24(29)23-19-13-28(14-20(19)23)12-16-5-7-17-3-1-2-4-18(17)9-16/h1-10,19-20,23H,11-14H2,(H,27,29)/t19-,20+,23+
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40n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
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