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Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'graziano' and Initial = 'm'   
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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261110
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23|
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human PAR1 in HCASMC assessed as inhibition of thrombin-induced calcium efflux


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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


(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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50260518
PNG
(CHEMBL442649 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(c2)C#N)C1 |r,w:21.23|
Show InChI InChI=1S/C30H33N3O4/c1-3-36-30(35)33-24-10-11-25-22(14-24)15-27-28(18(2)37-29(27)34)26(25)12-9-23-8-7-21(17-32-23)20-6-4-5-19(13-20)16-31/h4-9,12-13,17-18,22,24-28H,3,10-11,14-15H2,1-2H3,(H,33,35)/t18-,22+,24-,25-,26+,27-,28+/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
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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


(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


(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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261116
PNG
(CHEMBL453277 | ethyl methyl((1R,3aR,4aR,6R,8aR,9S,...)
Show SMILES CCOC(=O)N(C)[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1 |r|
Show InChI InChI=1S/C31H35F3N2O4/c1-4-39-30(38)36(3)24-11-13-25-21(15-24)16-27-28(18(2)40-29(27)37)26(25)12-10-23-9-8-20(17-35-23)19-6-5-7-22(14-19)31(32,33)34/h5-10,12,14,17-18,21,24-28H,4,11,13,15-16H2,1-3H3/b12-10+/t18-,21+,24-,25-,26+,27-,28+/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261114
PNG
(CHEMBL500551 | Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9...)
Show SMILES CCOC(=O)N(C)[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 |r|
Show InChI InChI=1S/C30H35FN2O4/c1-4-36-30(35)33(3)24-11-13-25-21(15-24)16-27-28(18(2)37-29(27)34)26(25)12-10-23-9-8-20(17-32-23)19-6-5-7-22(31)14-19/h5-10,12,14,17-18,21,24-28H,4,11,13,15-16H2,1-3H3/b12-10+/t18-,21+,24-,25-,26+,27-,28+/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261061
PNG
(CHEMBL493633 | N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E...)
Show SMILES CNC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:20.22|
Show InChI InChI=1S/C28H32FN3O3/c1-16-26-24(11-8-21-7-6-18(15-31-21)17-4-3-5-20(29)12-17)23-10-9-22(32-28(34)30-2)13-19(23)14-25(26)27(33)35-16/h3-8,11-12,15-16,19,22-26H,9-10,13-14H2,1-2H3,(H2,30,32,34)/t16-,19+,22-,23-,24+,25-,26+/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261062
PNG
(1-ethyl-3-((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(5-...)
Show SMILES CCNC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23|
Show InChI InChI=1S/C29H34FN3O3/c1-3-31-29(35)33-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)34)25(24)12-9-22-8-7-19(16-32-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H2,31,33,35)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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4.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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


(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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261117
PNG
(CHEMBL446344 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(OC)c2)C1 |r,w:21.23|
Show InChI InChI=1S/C30H36N2O5/c1-4-36-30(34)32-23-11-12-25-21(14-23)16-27-28(18(2)37-29(27)33)26(25)13-10-22-9-8-20(17-31-22)19-6-5-7-24(15-19)35-3/h5-10,13,15,17-18,21,23,25-28H,4,11-12,14,16H2,1-3H3,(H,32,34)/t18-,21+,23-,25-,26+,27-,28+/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50260520
PNG
(CHEMBL458264 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cc(F)cc(F)c2)C1 |r,w:21.23|
Show InChI InChI=1S/C29H32F2N2O4/c1-3-36-29(35)33-23-7-8-24-19(12-23)13-26-27(16(2)37-28(26)34)25(24)9-6-22-5-4-17(15-32-22)18-10-20(30)14-21(31)11-18/h4-6,9-11,14-16,19,23-27H,3,7-8,12-13H2,1-2H3,(H,33,35)/t16-,19+,23-,24-,25+,26-,27+/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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


(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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261111
PNG
(CHEMBL493983 | methyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9...)
Show SMILES COC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:20.22|
Show InChI InChI=1S/C28H31FN2O4/c1-16-26-24(11-8-21-7-6-18(15-30-21)17-4-3-5-20(29)12-17)23-10-9-22(31-28(33)34-2)13-19(23)14-25(26)27(32)35-16/h3-8,11-12,15-16,19,22-26H,9-10,13-14H2,1-2H3,(H,31,33)/t16-,19+,22-,23-,24+,25-,26+/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261060
PNG
(CHEMBL493632 | N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)NC(C)=O |r|
Show InChI InChI=1S/C28H31FN2O3/c1-16-27-25(11-8-22-7-6-19(15-30-22)18-4-3-5-21(29)12-18)24-10-9-23(31-17(2)32)13-20(24)14-26(27)28(33)34-16/h3-8,11-12,15-16,20,23-27H,9-10,13-14H2,1-2H3,(H,31,32)/b11-8+/t16-,20+,23-,24-,25+,26-,27+/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50190877
PNG
(2-(6-(3-cyanophenyl)-1-(1-(tetrahydro-2H-pyran-4-y...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C2C2CCN(CC2)C2CCOCC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C34H36Cl2N4O2/c35-28-18-29(36)20-30(19-28)38-33(41)22-40-13-8-27-17-26(25-3-1-2-23(16-25)21-37)4-5-32(27)34(40)24-6-11-39(12-7-24)31-9-14-42-15-10-31/h1-5,16-20,24,31,34H,6-15,22H2,(H,38,41)
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6.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 16: 4917-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261017
PNG
(CHEMBL493792 | N-((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E...)
Show SMILES CCC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 |r|
Show InChI InChI=1S/C29H33FN2O3/c1-3-27(33)32-23-10-11-24-20(14-23)15-26-28(17(2)35-29(26)34)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-26,28H,3,10-11,14-15H2,1-2H3,(H,32,33)/b12-9+/t17-,20+,23-,24-,25+,26-,28+/m1/s1
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6.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261018
PNG
(CHEMBL494618 | N-((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C30H33FN2O3/c1-17-28-26(12-9-23-8-7-20(16-32-23)19-3-2-4-22(31)13-19)25-11-10-24(33-29(34)18-5-6-18)14-21(25)15-27(28)30(35)36-17/h2-4,7-9,12-13,16-18,21,24-28H,5-6,10-11,14-15H2,1H3,(H,33,34)/b12-9+/t17-,21+,24-,25-,26+,27-,28+/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50190869
PNG
(2-(6-(3-cyanophenyl)-1-(1-(5-hydroxypentyl)piperid...)
Show SMILES OCCCCCN1CCC(CC1)C1N(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCc2cc(ccc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C34H38Cl2N4O2/c35-29-19-30(36)21-31(20-29)38-33(42)23-40-15-11-28-18-27(26-6-4-5-24(17-26)22-37)7-8-32(28)34(40)25-9-13-39(14-10-25)12-2-1-3-16-41/h4-8,17-21,25,34,41H,1-3,9-16,23H2,(H,38,42)
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6.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 16: 4917-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50190851
PNG
(2-(6-(3-cyanophenyl)-1-(1-(tetrahydrothiophen-3-yl...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C2C2CCN(CC2)C2CCSC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C33H34Cl2N4OS/c34-27-16-28(35)18-29(17-27)37-32(40)20-39-12-8-26-15-25(24-3-1-2-22(14-24)19-36)4-5-31(26)33(39)23-6-10-38(11-7-23)30-9-13-41-21-30/h1-5,14-18,23,30,33H,6-13,20-21H2,(H,37,40)
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 16: 4917-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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


(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


(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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261110
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23|
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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8.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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


(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


(Homo sapiens (Human))
BDBM50190884
PNG
(2-(6-(3-cyanophenyl)-1-(1-(cyclopropylmethyl)piper...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C2C2CCN(CC3CC3)CC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C33H34Cl2N4O/c34-28-16-29(35)18-30(17-28)37-32(40)21-39-13-10-27-15-26(25-3-1-2-23(14-25)19-36)6-7-31(27)33(39)24-8-11-38(12-9-24)20-22-4-5-22/h1-3,6-7,14-18,22,24,33H,4-5,8-13,20-21H2,(H,37,40)
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9.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 16: 4917-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50190889
PNG
(2-(6-(3-cyanophenyl)-1-(1-cycloheptylpiperidin-4-y...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C2C2CCN(CC2)C2CCCCCC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C36H40Cl2N4O/c37-30-20-31(38)22-32(21-30)40-35(43)24-42-17-14-29-19-28(27-7-5-6-25(18-27)23-39)10-11-34(29)36(42)26-12-15-41(16-13-26)33-8-3-1-2-4-9-33/h5-7,10-11,18-22,26,33,36H,1-4,8-9,12-17,24H2,(H,40,43)
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9.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 16: 4917-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261108
PNG
(CHEMBL447996 | N-((1R,3aR,4aR,6R,8aR,9S,9aS)-1-met...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)NS(C)(=O)=O |r|
Show InChI InChI=1S/C28H31F3N2O4S/c1-16-26-24(23-10-9-22(33-38(2,35)36)13-19(23)14-25(26)27(34)37-16)11-8-21-7-6-18(15-32-21)17-4-3-5-20(12-17)28(29,30)31/h3-8,11-12,15-16,19,22-26,33H,9-10,13-14H2,1-2H3/b11-8+/t16-,19+,22-,23-,24+,25-,26+/m1/s1
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50190883
PNG
(2-(6-(3-cyanophenyl)-1-(1-cyclohexylpiperidin-4-yl...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C2C2CCN(CC2)C2CCCCC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C35H38Cl2N4O/c36-29-19-30(37)21-31(20-29)39-34(42)23-41-16-13-28-18-27(26-6-4-5-24(17-26)22-38)9-10-33(28)35(41)25-11-14-40(15-12-25)32-7-2-1-3-8-32/h4-6,9-10,17-21,25,32,35H,1-3,7-8,11-16,23H2,(H,39,42)
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 16: 4917-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50260521
PNG
(CHEMBL507697 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(C)c2F)C1 |r,w:21.23|
Show InChI InChI=1S/C30H35FN2O4/c1-4-36-30(35)33-22-11-12-23-20(14-22)15-26-27(18(3)37-29(26)34)25(23)13-10-21-9-8-19(16-32-21)24-7-5-6-17(2)28(24)31/h5-10,13,16,18,20,22-23,25-27H,4,11-12,14-15H2,1-3H3,(H,33,35)/t18-,20+,22-,23-,25+,26-,27+/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50190896
PNG
(2-(6-(3-cyanophenyl)-1-(1-cyclopentylpiperidin-4-y...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C2C2CCN(CC2)C2CCCC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C34H36Cl2N4O/c35-28-18-29(36)20-30(19-28)38-33(41)22-40-15-12-27-17-26(25-5-3-4-23(16-25)21-37)8-9-32(27)34(40)24-10-13-39(14-11-24)31-6-1-2-7-31/h3-5,8-9,16-20,24,31,34H,1-2,6-7,10-15,22H2,(H,38,41)
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 16: 4917-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50190902
PNG
(2-[6-(3-cyano-phenyl)-1'-cycloheptyl-3,4-dihydro-s...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C22CCN(CC2)C2CCCCCC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C35H38Cl2N4O/c36-29-20-30(37)22-31(21-29)39-34(42)24-41-15-12-28-19-27(26-7-5-6-25(18-26)23-38)10-11-33(28)35(41)13-16-40(17-14-35)32-8-3-1-2-4-9-32/h5-7,10-11,18-22,32H,1-4,8-9,12-17,24H2,(H,39,42)
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 16: 4917-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50260519
PNG
(CHEMBL521531 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(Cl)c2)C1 |r,w:21.23|
Show InChI InChI=1S/C29H33ClN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50260516
PNG
(CHEMBL495422 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2ccccc2F)C1 |r,w:21.23|
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-21-11-12-22-19(14-21)15-25-27(17(2)36-28(25)33)24(22)13-10-20-9-8-18(16-31-20)23-6-4-5-7-26(23)30/h4-10,13,16-17,19,21-22,24-25,27H,3,11-12,14-15H2,1-2H3,(H,32,34)/t17-,19+,21-,22-,24+,25-,27+/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261107
PNG
(CHEMBL493975 | N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)NS(C)(=O)=O |r|
Show InChI InChI=1S/C27H31FN2O4S/c1-16-26-24(11-8-21-7-6-18(15-29-21)17-4-3-5-20(28)12-17)23-10-9-22(30-35(2,32)33)13-19(23)14-25(26)27(31)34-16/h3-8,11-12,15-16,19,22-26,30H,9-10,13-14H2,1-2H3/b11-8+/t16-,19+,22-,23-,24+,25-,26+/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261109
PNG
(CHEMBL449425 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-1-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1 |r,w:21.23|
Show InChI InChI=1S/C30H33F3N2O4/c1-3-38-29(37)35-23-10-11-24-20(14-23)15-26-27(17(2)39-28(26)36)25(24)12-9-22-8-7-19(16-34-22)18-5-4-6-21(13-18)30(31,32)33/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,35,37)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50190886
PNG
(2-[6-(3-cyano-phenyl)-1'-cyclobutyl-3,4-dihydro-sp...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C22CCN(CC2)C2CCC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C32H32Cl2N4O/c33-26-17-27(34)19-28(18-26)36-31(39)21-38-12-9-25-16-24(23-4-1-3-22(15-23)20-35)7-8-30(25)32(38)10-13-37(14-11-32)29-5-2-6-29/h1,3-4,7-8,15-19,29H,2,5-6,9-14,21H2,(H,36,39)
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 16: 4917-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261110
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23|
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human PAR1 in HCASMC assessed as inhibition of thrombin-induced thymidine incorporation


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50190874
PNG
(2-(6-(3-cyanophenyl)-1-(1-(furan-3-ylmethyl)piperi...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C2C2CCN(Cc3ccoc3)CC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C34H32Cl2N4O2/c35-29-16-30(36)18-31(17-29)38-33(41)21-40-12-8-28-15-27(26-3-1-2-23(14-26)19-37)4-5-32(28)34(40)25-6-10-39(11-7-25)20-24-9-13-42-22-24/h1-5,9,13-18,22,25,34H,6-8,10-12,20-21H2,(H,38,41)
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 16: 4917-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50190863
PNG
(2-[6-(3-cyano-phenyl)-1'-cyclopropylmethyl-3,4-dih...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C22CCN(CC3CC3)CC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C32H32Cl2N4O/c33-27-16-28(34)18-29(17-27)36-31(39)21-38-11-8-26-15-25(24-3-1-2-23(14-24)19-35)6-7-30(26)32(38)9-12-37(13-10-32)20-22-4-5-22/h1-3,6-7,14-18,22H,4-5,8-13,20-21H2,(H,36,39)
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15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 16: 4917-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50190903
PNG
(2-(6-(3-cyanophenyl)-1-(1-cyclobutylpiperidin-4-yl...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C2C2CCN(CC2)C2CCC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C33H34Cl2N4O/c34-27-17-28(35)19-29(18-27)37-32(40)21-39-14-11-26-16-25(24-4-1-3-22(15-24)20-36)7-8-31(26)33(39)23-9-12-38(13-10-23)30-5-2-6-30/h1,3-4,7-8,15-19,23,30,33H,2,5-6,9-14,21H2,(H,37,40)
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15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 16: 4917-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50190887
PNG
(2-[6-(3-cyano-phenyl)-1'-cyclopentyl-3,4-dihydro-s...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C22CCN(CC2)C2CCCC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C33H34Cl2N4O/c34-27-18-28(35)20-29(19-27)37-32(40)22-39-13-10-26-17-25(24-5-3-4-23(16-24)21-36)8-9-31(26)33(39)11-14-38(15-12-33)30-6-1-2-7-30/h3-5,8-9,16-20,30H,1-2,6-7,10-15,22H2,(H,37,40)
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 16: 4917-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83
More data for this
Ligand-Target Pair
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