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PubMed code 22137790

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360858
PNG
(CHEMBL1934835)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(F)c(F)c3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H30F2N4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)23-10-11-27(31)28(32)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)
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n/an/a 1n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360848
PNG
(CHEMBL1934826)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H31FN4O2/c1-21(36)32-26-7-4-6-24(20-26)22-14-18-34(19-15-22)16-5-17-35-30(37)28-9-3-2-8-27(28)29(33-35)23-10-12-25(31)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,32,36)
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n/an/a 5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360862
PNG
(CHEMBL1934839)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)c(F)c3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H30ClFN4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)23-10-11-27(31)28(32)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)
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n/an/a 6n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360857
PNG
(CHEMBL1934834)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(F)cc3F)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H30F2N4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)27-11-10-23(31)19-28(27)32/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)
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n/an/a 7n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360860
PNG
(CHEMBL1934837)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)c(Cl)c3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H30Cl2N4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)23-10-11-27(31)28(32)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)
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n/an/a 12n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360839
PNG
(CHEMBL1934817)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3ccc(Cl)cc3c2=O)CC1
Show InChI InChI=1S/C30H30Cl2N4O2/c1-20(37)33-26-5-2-4-23(18-26)21-12-16-35(17-13-21)14-3-15-36-30(38)28-19-25(32)10-11-27(28)29(34-36)22-6-8-24(31)9-7-22/h2,4-11,18-19,21H,3,12-17H2,1H3,(H,33,37)
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n/an/a 14n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360838
PNG
(CHEMBL1934816)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3ccc(F)cc3c2=O)CC1
Show InChI InChI=1S/C30H30ClFN4O2/c1-20(37)33-26-5-2-4-23(18-26)21-12-16-35(17-13-21)14-3-15-36-30(38)28-19-25(32)10-11-27(28)29(34-36)22-6-8-24(31)9-7-22/h2,4-11,18-19,21H,3,12-17H2,1H3,(H,33,37)
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n/an/a 14n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360840
PNG
(CHEMBL1934818)
Show SMILES COc1ccc2c(nn(CCCN3CCC(CC3)c3cccc(NC(C)=O)c3)c(=O)c2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H33ClN4O3/c1-21(37)33-26-6-3-5-24(19-26)22-13-17-35(18-14-22)15-4-16-36-31(38)29-20-27(39-2)11-12-28(29)30(34-36)23-7-9-25(32)10-8-23/h3,5-12,19-20,22H,4,13-18H2,1-2H3,(H,33,37)
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n/an/a 15n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360842
PNG
(CHEMBL1934820)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3cc(Cl)ccc3c2=O)CC1
Show InChI InChI=1S/C30H30Cl2N4O2/c1-20(37)33-26-5-2-4-23(18-26)21-12-16-35(17-13-21)14-3-15-36-30(38)27-11-10-25(32)19-28(27)29(34-36)22-6-8-24(31)9-7-22/h2,4-11,18-19,21H,3,12-17H2,1H3,(H,33,37)
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360837
PNG
(CHEMBL1934815)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H31ClN4O2/c1-21(36)32-26-7-4-6-24(20-26)22-14-18-34(19-15-22)16-5-17-35-30(37)28-9-3-2-8-27(28)29(33-35)23-10-12-25(31)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,32,36)
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360844
PNG
(CHEMBL1934822)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3cc(Cl)c(Cl)cc3c2=O)CC1
Show InChI InChI=1S/C30H29Cl3N4O2/c1-19(38)34-24-5-2-4-22(16-24)20-10-14-36(15-11-20)12-3-13-37-30(39)26-18-28(33)27(32)17-25(26)29(35-37)21-6-8-23(31)9-7-21/h2,4-9,16-18,20H,3,10-15H2,1H3,(H,34,38)
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360843
PNG
(CHEMBL1934821)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3cc(C)ccc3c2=O)CC1
Show InChI InChI=1S/C31H33ClN4O2/c1-21-7-12-28-29(19-21)30(24-8-10-26(32)11-9-24)34-36(31(28)38)16-4-15-35-17-13-23(14-18-35)25-5-3-6-27(20-25)33-22(2)37/h3,5-12,19-20,23H,4,13-18H2,1-2H3,(H,33,37)
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360836
PNG
(CHEMBL1934814)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3ccsc3c2=O)CC1
Show InChI InChI=1S/C28H29ClN4O2S/c1-19(34)30-24-5-2-4-22(18-24)20-10-15-32(16-11-20)13-3-14-33-28(35)27-25(12-17-36-27)26(31-33)21-6-8-23(29)9-7-21/h2,4-9,12,17-18,20H,3,10-11,13-16H2,1H3,(H,30,34)
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Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360847
PNG
(CHEMBL1934825)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3cccc(Cl)c3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H31ClN4O2/c1-21(36)32-26-10-5-7-23(20-26)22-13-17-34(18-14-22)15-6-16-35-30(37)28-12-3-2-11-27(28)29(33-35)24-8-4-9-25(31)19-24/h2-5,7-12,19-20,22H,6,13-18H2,1H3,(H,32,36)
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n/an/a 26n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360863
PNG
(CHEMBL1934840)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3cc(F)cc(F)c3F)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H29F3N4O2/c1-19(38)34-23-7-4-6-21(16-23)20-10-14-36(15-11-20)12-5-13-37-30(39)25-9-3-2-8-24(25)29(35-37)26-17-22(31)18-27(32)28(26)33/h2-4,6-9,16-18,20H,5,10-15H2,1H3,(H,34,38)
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n/an/a 27n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360859
PNG
(CHEMBL1934836)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3Cl)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H30Cl2N4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)27-11-10-23(31)19-28(27)32/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)
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n/an/a 27n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360845
PNG
(CHEMBL1934823)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccccc3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H32N4O2/c1-22(35)31-26-12-7-11-25(21-26)23-15-19-33(20-16-23)17-8-18-34-30(36)28-14-6-5-13-27(28)29(32-34)24-9-3-2-4-10-24/h2-7,9-14,21,23H,8,15-20H2,1H3,(H,31,35)
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n/an/a 30n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360864
PNG
(CHEMBL1934841)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3c(F)c(F)c(F)c(F)c3F)c3ccccc3c2=O)CC1 |(40.92,-37.87,;39.59,-38.64,;39.58,-40.18,;38.25,-37.86,;36.92,-38.63,;36.91,-40.18,;35.57,-40.94,;34.25,-40.16,;34.26,-38.62,;35.59,-37.86,;32.93,-37.84,;31.59,-38.6,;30.27,-37.83,;30.28,-36.28,;28.95,-35.5,;27.62,-36.27,;26.29,-35.49,;24.95,-36.26,;24.95,-37.8,;23.62,-38.56,;23.62,-40.1,;24.95,-40.87,;26.28,-40.09,;24.95,-42.4,;26.29,-43.17,;23.62,-43.18,;23.62,-44.72,;22.28,-42.41,;20.95,-43.18,;22.28,-40.87,;20.95,-40.1,;22.29,-37.8,;20.98,-38.58,;19.64,-37.83,;19.62,-36.28,;20.95,-35.5,;22.28,-36.26,;23.62,-35.48,;23.62,-33.94,;31.61,-35.52,;32.94,-36.3,)|
Show InChI InChI=1S/C30H27F5N4O2/c1-17(40)36-20-7-4-6-19(16-20)18-10-14-38(15-11-18)12-5-13-39-30(41)22-9-3-2-8-21(22)29(37-39)23-24(31)26(33)28(35)27(34)25(23)32/h2-4,6-9,16,18H,5,10-15H2,1H3,(H,36,40)
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n/an/a 30n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360841
PNG
(CHEMBL1934819)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3cc(F)ccc3c2=O)CC1
Show InChI InChI=1S/C30H30ClFN4O2/c1-20(37)33-26-5-2-4-23(18-26)21-12-16-35(17-13-21)14-3-15-36-30(38)27-11-10-25(32)19-28(27)29(34-36)22-6-8-24(31)9-7-22/h2,4-11,18-19,21H,3,12-17H2,1H3,(H,33,37)
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n/an/a 30n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360851
PNG
(CHEMBL1934828)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(cc3)C#N)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C31H31N5O2/c1-22(37)33-27-7-4-6-26(20-27)24-14-18-35(19-15-24)16-5-17-36-31(38)29-9-3-2-8-28(29)30(34-36)25-12-10-23(21-32)11-13-25/h2-4,6-13,20,24H,5,14-19H2,1H3,(H,33,37)
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n/an/a 34n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360834
PNG
(CHEMBL1934812)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(c(C)c(C)c2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C28H33ClN4O2/c1-19-20(2)28(35)33(31-27(19)23-8-10-25(29)11-9-23)15-5-14-32-16-12-22(13-17-32)24-6-4-7-26(18-24)30-21(3)34/h4,6-11,18,22H,5,12-17H2,1-3H3,(H,30,34)
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n/an/a 40n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360849
PNG
(CHEMBL1934827)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Br)cc3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H31BrN4O2/c1-21(36)32-26-7-4-6-24(20-26)22-14-18-34(19-15-22)16-5-17-35-30(37)28-9-3-2-8-27(28)29(33-35)23-10-12-25(31)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,32,36)
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n/an/a 50n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360861
PNG
(CHEMBL1934838)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3F)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H30ClFN4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)27-11-10-23(31)19-28(27)32/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)
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n/an/a 50n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360855
PNG
(CHEMBL1934832)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C31H34N4O2/c1-22-11-13-25(14-12-22)30-28-9-3-4-10-29(28)31(37)35(33-30)18-6-17-34-19-15-24(16-20-34)26-7-5-8-27(21-26)32-23(2)36/h3-5,7-14,21,24H,6,15-20H2,1-2H3,(H,32,36)
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n/an/a 91n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360846
PNG
(CHEMBL1934824)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccccc3Cl)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H31ClN4O2/c1-21(36)32-24-9-6-8-23(20-24)22-14-18-34(19-15-22)16-7-17-35-30(37)26-11-3-2-10-25(26)29(33-35)27-12-4-5-13-28(27)31/h2-6,8-13,20,22H,7,14-19H2,1H3,(H,32,36)
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n/an/a 96n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360833
PNG
(CHEMBL1934811)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(ccc2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C26H29ClN4O2/c1-19(32)28-24-5-2-4-22(18-24)20-12-16-30(17-13-20)14-3-15-31-26(33)11-10-25(29-31)21-6-8-23(27)9-7-21/h2,4-11,18,20H,3,12-17H2,1H3,(H,28,32)
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n/an/a 120n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360850
PNG
(CHEMBL1933085)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(cc3)C(F)(F)F)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C31H31F3N4O2/c1-21(39)35-26-7-4-6-24(20-26)22-14-18-37(19-15-22)16-5-17-38-30(40)28-9-3-2-8-27(28)29(36-38)23-10-12-25(13-11-23)31(32,33)34/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,35,39)
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n/an/a 136n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360853
PNG
(CHEMBL1934830)
Show SMILES CSc1ccc(cc1)-c1nn(CCCN2CCC(CC2)c2cccc(NC(C)=O)c2)c(=O)c2ccccc12
Show InChI InChI=1S/C31H34N4O2S/c1-22(36)32-26-8-5-7-25(21-26)23-15-19-34(20-16-23)17-6-18-35-31(37)29-10-4-3-9-28(29)30(33-35)24-11-13-27(38-2)14-12-24/h3-5,7-14,21,23H,6,15-20H2,1-2H3,(H,32,36)
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n/an/a 141n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360835
PNG
(CHEMBL1934813)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3CCCCc3c2=O)CC1
Show InChI InChI=1S/C30H35ClN4O2/c1-21(36)32-26-7-4-6-24(20-26)22-14-18-34(19-15-22)16-5-17-35-30(37)28-9-3-2-8-27(28)29(33-35)23-10-12-25(31)13-11-23/h4,6-7,10-13,20,22H,2-3,5,8-9,14-19H2,1H3,(H,32,36)
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n/an/a 170n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360852
PNG
(CHEMBL1934829)
Show SMILES COc1ccc(cc1)-c1nn(CCCN2CCC(CC2)c2cccc(NC(C)=O)c2)c(=O)c2ccccc12
Show InChI InChI=1S/C31H34N4O3/c1-22(36)32-26-8-5-7-25(21-26)23-15-19-34(20-16-23)17-6-18-35-31(37)29-10-4-3-9-28(29)30(33-35)24-11-13-27(38-2)14-12-24/h3-5,7-14,21,23H,6,15-20H2,1-2H3,(H,32,36)
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n/an/a 179n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360856
PNG
(CHEMBL1934833)
Show SMILES CC(C)c1ccc(cc1)-c1nn(CCCN2CCC(CC2)c2cccc(NC(C)=O)c2)c(=O)c2ccccc12
Show InChI InChI=1S/C33H38N4O2/c1-23(2)25-12-14-27(15-13-25)32-30-10-4-5-11-31(30)33(39)37(35-32)19-7-18-36-20-16-26(17-21-36)28-8-6-9-29(22-28)34-24(3)38/h4-6,8-15,22-23,26H,7,16-21H2,1-3H3,(H,34,38)
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n/an/a 380n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360854
PNG
(CHEMBL1934831)
Show SMILES CN(C)c1ccc(cc1)-c1nn(CCCN2CCC(CC2)c2cccc(NC(C)=O)c2)c(=O)c2ccccc12
Show InChI InChI=1S/C32H37N5O2/c1-23(38)33-27-9-6-8-26(22-27)24-16-20-36(21-17-24)18-7-19-37-32(39)30-11-5-4-10-29(30)31(34-37)25-12-14-28(15-13-25)35(2)3/h4-6,8-15,22,24H,7,16-21H2,1-3H3,(H,33,38)
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n/an/a 423n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50360858
PNG
(CHEMBL1934835)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(F)c(F)c3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H30F2N4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)23-10-11-27(31)28(32)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)
PDB
MMDB

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n/an/a 1.60E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%