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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50016556   
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))
BDBM50170625
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-(3'-cyano-biphenyl-...)
Show SMILES Fc1ccc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1Cl
Show InChI InChI=1S/C30H30ClFN4O/c31-28-19-24(10-13-29(28)32)34-30(37)36(27-14-16-35(17-15-27)25-6-1-2-7-25)26-11-8-22(9-12-26)23-5-3-4-21(18-23)20-33/h3-5,8-13,18-19,25,27H,1-2,6-7,14-17H2,(H,34,37)
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50164243
PNG
((R)-1-(3'-cyanobiphenyl-4-yl)-3-(4-fluoro-3-(trifl...)
Show SMILES O[C@@H]1CCN(CCN(C(=O)Nc2ccc(F)c(c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)C1
Show InChI InChI=1S/C27H24F4N4O2/c28-25-9-6-21(15-24(25)27(29,30)31)33-26(37)35(13-12-34-11-10-23(36)17-34)22-7-4-19(5-8-22)20-3-1-2-18(14-20)16-32/h1-9,14-15,23,36H,10-13,17H2,(H,33,37)/t23-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170614
PNG
(1-(3'-Cyano-biphenyl-4-yl)-1-(1-cyclopentyl-piperi...)
Show SMILES Fc1ccc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1C(F)(F)F
Show InChI InChI=1S/C31H30F4N4O/c32-29-13-10-24(19-28(29)31(33,34)35)37-30(40)39(27-14-16-38(17-15-27)25-6-1-2-7-25)26-11-8-22(9-12-26)23-5-3-4-21(18-23)20-36/h3-5,8-13,18-19,25,27H,1-2,6-7,14-17H2,(H,37,40)
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170617
PNG
(1-(3'-cyano-biphenyl-4-yl)-1-(1-cyclopentyl-piperi...)
Show SMILES Clc1cc(Cl)cc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C30H30Cl2N4O/c31-24-17-25(32)19-26(18-24)34-30(37)36(29-12-14-35(15-13-29)27-6-1-2-7-27)28-10-8-22(9-11-28)23-5-3-4-21(16-23)20-33/h3-5,8-11,16-19,27,29H,1-2,6-7,12-15H2,(H,34,37)
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2.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170622
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-(3'-cyano-biphenyl-...)
Show SMILES CN(C)CCN(C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H22ClFN4O/c1-29(2)12-13-30(24(31)28-20-8-11-23(26)22(25)15-20)21-9-6-18(7-10-21)19-5-3-4-17(14-19)16-27/h3-11,14-15H,12-13H2,1-2H3,(H,28,31)
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3.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170626
PNG
(1-(3'-Cyano-biphenyl-4-yl)-1-(1-cyclopropylmethyl-...)
Show SMILES Fc1ccc(NC(=O)N(C2CCN(CC3CC3)CC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1C(F)(F)F
Show InChI InChI=1S/C30H28F4N4O/c31-28-11-8-24(17-27(28)30(32,33)34)36-29(39)38(26-12-14-37(15-13-26)19-20-4-5-20)25-9-6-22(7-10-25)23-3-1-2-21(16-23)18-35/h1-3,6-11,16-17,20,26H,4-5,12-15,19H2,(H,36,39)
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4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170613
PNG
(1-(3'-Cyano-biphenyl-4-yl)-3-(3-fluoro-4-trifluoro...)
Show SMILES Fc1cc(NC(=O)N(CCN2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)ccc1C(F)(F)F
Show InChI InChI=1S/C27H24F4N4O/c28-25-17-22(8-11-24(25)27(29,30)31)33-26(36)35(15-14-34-12-1-2-13-34)23-9-6-20(7-10-23)21-5-3-4-19(16-21)18-32/h3-11,16-17H,1-2,12-15H2,(H,33,36)
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5.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170608
PNG
(3-(3-Chloro-phenyl)-1-(3'-cyano-biphenyl-4-yl)-1-(...)
Show SMILES Clc1cccc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C30H31ClN4O/c31-25-7-4-8-26(20-25)33-30(36)35(29-15-17-34(18-16-29)27-9-1-2-10-27)28-13-11-23(12-14-28)24-6-3-5-22(19-24)21-32/h3-8,11-14,19-20,27,29H,1-2,9-10,15-18H2,(H,33,36)
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5.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170615
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-(3'-cyano-biphenyl-...)
Show SMILES CNCCN(C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H20ClFN4O/c1-27-11-12-29(23(30)28-19-7-10-22(25)21(24)14-19)20-8-5-17(6-9-20)18-4-2-3-16(13-18)15-26/h2-10,13-14,27H,11-12H2,1H3,(H,28,30)
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170618
PNG
(1-(3'-Cyano-biphenyl-4-yl)-1-(2-dimethylamino-ethy...)
Show SMILES CN(C)CCN(C(=O)Nc1ccc(c(F)c1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H22F4N4O/c1-32(2)12-13-33(24(34)31-20-8-11-22(23(26)15-20)25(27,28)29)21-9-6-18(7-10-21)19-5-3-4-17(14-19)16-30/h3-11,14-15H,12-13H2,1-2H3,(H,31,34)
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170630
PNG
(1-(3'-Cyano-biphenyl-4-yl)-1-(1-ethyl-piperidin-4-...)
Show SMILES CCN1CCC(CC1)N(C(=O)Nc1ccc(F)c(c1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H26F4N4O/c1-2-35-14-12-24(13-15-35)36(27(37)34-22-8-11-26(29)25(17-22)28(30,31)32)23-9-6-20(7-10-23)21-5-3-4-19(16-21)18-33/h3-11,16-17,24H,2,12-15H2,1H3,(H,34,37)
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7.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170616
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-(3'-cyano-biphenyl-...)
Show SMILES O[C@@H]1CCN(CCN(C(=O)Nc2ccc(F)c(Cl)c2)c2ccc(cc2)-c2cccc(c2)C#N)C1
Show InChI InChI=1S/C26H24ClFN4O2/c27-24-15-21(6-9-25(24)28)30-26(34)32(13-12-31-11-10-23(33)17-31)22-7-4-19(5-8-22)20-3-1-2-18(14-20)16-29/h1-9,14-15,23,33H,10-13,17H2,(H,30,34)/t23-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170620
PNG
(1-(3'-Cyano-biphenyl-4-yl)-3-(3-fluoro-4-trifluoro...)
Show SMILES O[C@H]1CCN(CCN(C(=O)Nc2ccc(c(F)c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)C1
Show InChI InChI=1S/C27H24F4N4O2/c28-25-15-21(6-9-24(25)27(29,30)31)33-26(37)35(13-12-34-11-10-23(36)17-34)22-7-4-19(5-8-22)20-3-1-2-18(14-20)16-32/h1-9,14-15,23,36H,10-13,17H2,(H,33,37)/t23-/m0/s1
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7.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170624
PNG
(1-(3'-Cyano-biphenyl-4-yl)-3-(3-fluoro-4-trifluoro...)
Show SMILES CN1CCN(CCN(C(=O)Nc2ccc(c(F)c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C28H27F4N5O/c1-35-11-13-36(14-12-35)15-16-37(27(38)34-23-7-10-25(26(29)18-23)28(30,31)32)24-8-5-21(6-9-24)22-4-2-3-20(17-22)19-33/h2-10,17-18H,11-16H2,1H3,(H,34,38)
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8.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170628
PNG
(1-(3'-Cyano-biphenyl-4-yl)-3-(3-fluoro-4-trifluoro...)
Show SMILES O[C@@H]1CCN(CCN(C(=O)Nc2ccc(c(F)c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)C1
Show InChI InChI=1S/C27H24F4N4O2/c28-25-15-21(6-9-24(25)27(29,30)31)33-26(37)35(13-12-34-11-10-23(36)17-34)22-7-4-19(5-8-22)20-3-1-2-18(14-20)16-32/h1-9,14-15,23,36H,10-13,17H2,(H,33,37)/t23-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170611
PNG
(1-(3'-Cyano-biphenyl-4-yl)-3-(3,4-dichloro-phenyl)...)
Show SMILES O[C@@H]1CCN(CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(cc2)-c2cccc(c2)C#N)C1
Show InChI InChI=1S/C26H24Cl2N4O2/c27-21-13-22(28)15-23(14-21)30-26(34)32(11-10-31-9-8-25(33)17-31)24-6-4-19(5-7-24)20-3-1-2-18(12-20)16-29/h1-7,12-15,25,33H,8-11,17H2,(H,30,34)/t25-/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170619
PNG
(1-(3'-Chloro-biphenyl-4-yl)-1-(1-cyclopentyl-piper...)
Show SMILES Clc1cccc(c1)-c1ccc(cc1)N(C1CCN(CC1)C1CCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H30Cl3N3O/c30-22-5-3-4-21(16-22)20-8-10-27(11-9-20)35(29(36)33-25-18-23(31)17-24(32)19-25)28-12-14-34(15-13-28)26-6-1-2-7-26/h3-5,8-11,16-19,26,28H,1-2,6-7,12-15H2,(H,33,36)
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12.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170612
PNG
(1-(3'-Cyano-biphenyl-4-yl)-3-(3,4-dichloro-phenyl)...)
Show SMILES CN(C)CCN(C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H22Cl2N4O/c1-29(2)10-11-30(24(31)28-22-14-20(25)13-21(26)15-22)23-8-6-18(7-9-23)19-5-3-4-17(12-19)16-27/h3-9,12-15H,10-11H2,1-2H3,(H,28,31)
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19n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170627
PNG
(1-(1-Cyclopentyl-piperidin-4-yl)-3-(3,4-dichloro-p...)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1ccc(cc1)N(C1CCN(CC1)C1CCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C30H30Cl2F3N3O2/c31-22-17-23(32)19-24(18-22)36-29(39)38(27-12-14-37(15-13-27)25-5-1-2-6-25)26-10-8-20(9-11-26)21-4-3-7-28(16-21)40-30(33,34)35/h3-4,7-11,16-19,25,27H,1-2,5-6,12-15H2,(H,36,39)
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20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170621
PNG
(1-(3'-Cyano-biphenyl-4-yl)-1-(1-cyclopentyl-piperi...)
Show SMILES COc1cccc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C31H34N4O2/c1-37-30-11-5-8-26(21-30)33-31(36)35(29-16-18-34(19-17-29)27-9-2-3-10-27)28-14-12-24(13-15-28)25-7-4-6-23(20-25)22-32/h4-8,11-15,20-21,27,29H,2-3,9-10,16-19H2,1H3,(H,33,36)
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98n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170623
PNG
(1-(3'-Cyano-biphenyl-4-yl)-1-(1-cyclopentyl-piperi...)
Show SMILES COc1ccc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C31H34N4O2/c1-37-30-15-11-26(12-16-30)33-31(36)35(29-17-19-34(20-18-29)27-7-2-3-8-27)28-13-9-24(10-14-28)25-6-4-5-23(21-25)22-32/h4-6,9-16,21,27,29H,2-3,7-8,17-20H2,1H3,(H,33,36)
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139n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170631
PNG
(1-(3'-Cyano-biphenyl-4-yl)-1-(1-ethanesulfonyl-pip...)
Show SMILES CCS(=O)(=O)N1CCC(CC1)N(C(=O)Nc1ccc(F)c(c1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H26F4N4O3S/c1-2-40(38,39)35-14-12-24(13-15-35)36(27(37)34-22-8-11-26(29)25(17-22)28(30,31)32)23-9-6-20(7-10-23)21-5-3-4-19(16-21)18-33/h3-11,16-17,24H,2,12-15H2,1H3,(H,34,37)
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166n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170609
PNG
(1-(1-Cyclopentyl-piperidin-4-yl)-3-(3,4-dichloro-p...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(cc1)N(C1CCN(CC1)C1CCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C30H30Cl2F3N3O/c31-23-17-24(32)19-25(18-23)36-29(39)38(28-12-14-37(15-13-28)26-6-1-2-7-26)27-10-8-20(9-11-27)21-4-3-5-22(16-21)30(33,34)35/h3-5,8-11,16-19,26,28H,1-2,6-7,12-15H2,(H,36,39)
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197n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170629
PNG
(1-(3'-Cyano-biphenyl-4-yl)-1-(1-cyclopentyl-piperi...)
Show SMILES O=C(Nc1ccccc1)N(C1CCN(CC1)C1CCCC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C30H32N4O/c31-22-23-7-6-8-25(21-23)24-13-15-28(16-14-24)34(30(35)32-26-9-2-1-3-10-26)29-17-19-33(20-18-29)27-11-4-5-12-27/h1-3,6-10,13-16,21,27,29H,4-5,11-12,17-20H2,(H,32,35)
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233n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170610
PNG
(1-(3'-Cyano-biphenyl-4-yl)-3-(4-fluoro-3-trifluoro...)
Show SMILES CC(C)C(=O)N1CCC(CC1)N(C(=O)Nc1ccc(F)c(c1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C30H28F4N4O2/c1-19(2)28(39)37-14-12-25(13-15-37)38(29(40)36-23-8-11-27(31)26(17-23)30(32,33)34)24-9-6-21(7-10-24)22-5-3-4-20(16-22)18-35/h3-11,16-17,19,25H,12-15H2,1-2H3,(H,36,40)
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374n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50170624
PNG
(1-(3'-Cyano-biphenyl-4-yl)-3-(3-fluoro-4-trifluoro...)
Show SMILES CN1CCN(CCN(C(=O)Nc2ccc(c(F)c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C28H27F4N5O/c1-35-11-13-36(14-12-35)15-16-37(27(38)34-23-7-10-25(26(29)18-23)28(30,31)32)24-8-5-21(6-9-24)22-4-2-3-20(17-22)19-33/h2-10,17-18H,11-16H2,1H3,(H,34,38)
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine reuptake by serotonin transporter


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50170622
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-(3'-cyano-biphenyl-...)
Show SMILES CN(C)CCN(C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H22ClFN4O/c1-29(2)12-13-30(24(31)28-20-8-11-23(26)22(25)15-20)21-9-6-18(7-10-21)19-5-3-4-17(14-19)16-27/h3-11,14-15H,12-13H2,1-2H3,(H,28,31)
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1.08E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine reuptake by serotonin transporter


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair