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Patent code US9073925

Compile Data Set for Download or QSAR
Found 10 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))		BDBM167874
PNG
(US9073925, 3)
Show SMILES Cn1c2C3CCN(CC3)Cc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O |(6.44,-1.2,;5.67,.13,;6.58,1.38,;8.12,1.38,;9.13,2.54,;8.85,4.05,;7.5,4.78,;6.95,3.67,;8.12,2.68,;6.08,4.18,;5.67,2.62,;4.21,2.15,;2.87,2.92,;1.54,2.15,;1.54,.61,;2.87,-.16,;4.21,.61,;.21,-.16,;.21,-1.7,;-1.13,-2.47,;-2.46,-1.7,;-3.79,-2.47,;-5.13,-1.7,;-6.46,-2.47,;-7.8,-1.7,;-9.13,-2.47,;-9.13,-4.01,;-7.8,-4.78,;-6.46,-4.01,;-2.46,-.16,;-1.13,.61,;-1.13,2.15,)|
Show InChI InChI=1S/C27H27N3O2/c1-28-25-15-21(7-8-23(25)24-17-29-12-9-20(10-13-29)27(24)28)30-14-11-22(16-26(30)31)32-18-19-5-3-2-4-6-19/h2-8,11,14-16,20H,9-10,12-13,17-18H2,1H3
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US Patent
 5.90 -47.0n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...

US Patent US9073925 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MJ0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM167873
PNG
(US9073925, 2)
Show SMILES Cn1c2C3CCN(C3)Cc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C26H25N3O2/c1-27-24-13-20(7-8-22(24)23-16-28-11-9-19(15-28)26(23)27)29-12-10-21(14-25(29)30)31-17-18-5-3-2-4-6-18/h2-8,10,12-14,19H,9,11,15-17H2,1H3
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 6.40 -46.8n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...

US Patent US9073925 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MJ0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM167878
PNG
(US9073925, 7)
Show SMILES Cn1c2C3CCN(CC3)Cc2c2ccc(cc12)-n1ccc(OCc2ccc(nc2)C(F)(F)F)cc1=O |(7.11,-1.2,;6.34,.13,;7.24,1.38,;8.78,1.38,;9.8,2.54,;9.52,4.05,;8.16,4.78,;7.62,3.67,;8.78,2.68,;6.75,4.18,;6.34,2.62,;4.87,2.15,;3.54,2.92,;2.21,2.15,;2.21,.61,;3.54,-.16,;4.87,.61,;.87,-.16,;.87,-1.7,;-.46,-2.47,;-1.79,-1.7,;-3.13,-2.47,;-4.46,-1.7,;-5.79,-2.47,;-7.13,-1.7,;-8.46,-2.47,;-8.46,-4.01,;-7.13,-4.78,;-5.79,-4.01,;-9.8,-4.78,;-11.13,-5.55,;-11.13,-4.01,;-9.8,-6.32,;-1.79,-.16,;-.46,.61,;-.46,2.15,)|
Show InChI InChI=1S/C27H25F3N4O2/c1-32-23-12-19(3-4-21(23)22-15-33-9-6-18(7-10-33)26(22)32)34-11-8-20(13-25(34)35)36-16-17-2-5-24(31-14-17)27(28,29)30/h2-5,8,11-14,18H,6-7,9-10,15-16H2,1H3
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 11 -45.4n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...

US Patent US9073925 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MJ0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM167881
PNG
(US9073925, 10)
Show SMILES Cn1c2C3CCN(CC3)Cc2c2ccc(nc12)-n1ccc(cc1=O)-c1ccc(cc1)C(F)(F)F |(5.78,-1.2,;5.01,.13,;5.91,1.38,;7.45,1.38,;8.46,2.54,;8.19,4.05,;6.83,4.78,;6.29,3.67,;7.45,2.68,;5.42,4.18,;5.01,2.62,;3.54,2.15,;2.21,2.92,;.87,2.15,;.87,.61,;2.21,-.16,;3.54,.61,;-.46,-.16,;-.46,-1.7,;-1.79,-2.47,;-3.13,-1.7,;-3.13,-.16,;-1.79,.61,;-1.79,2.15,;-4.46,-2.47,;-4.46,-4.01,;-5.79,-4.78,;-7.13,-4.01,;-7.13,-2.47,;-5.79,-1.7,;-8.46,-4.78,;-9.8,-5.55,;-9.95,-4.38,;-8.46,-6.32,)|
Show InChI InChI=1S/C26H23F3N4O/c1-31-24-17-8-11-32(12-9-17)15-21(24)20-6-7-22(30-25(20)31)33-13-10-18(14-23(33)34)16-2-4-19(5-3-16)26(27,28)29/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3
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 15 -44.7n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...

US Patent US9073925 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MJ0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM167880
PNG
(US9073925, 9)
Show SMILES Cn1c2C3CCN(CC3)Cc2c2ccc(nc12)-n1ccc(OCc2ccc(F)cc2F)cc1=O |(7.11,-1.2,;6.34,.13,;7.24,1.38,;8.78,1.38,;9.8,2.54,;9.52,4.05,;8.16,4.78,;7.62,3.67,;8.78,2.68,;6.75,4.18,;6.34,2.62,;4.87,2.15,;3.54,2.92,;2.21,2.15,;2.21,.61,;3.54,-.16,;4.87,.61,;.87,-.16,;.87,-1.7,;-.46,-2.47,;-1.79,-1.7,;-3.13,-2.47,;-4.46,-1.7,;-5.79,-2.47,;-5.79,-4.01,;-7.13,-4.78,;-8.46,-4.01,;-9.8,-4.78,;-8.46,-2.47,;-7.13,-1.7,;-7.13,-.16,;-1.79,-.16,;-.46,.61,;-.46,2.15,)|
Show InChI InChI=1S/C26H24F2N4O2/c1-30-25-16-6-9-31(10-7-16)14-21(25)20-4-5-23(29-26(20)30)32-11-8-19(13-24(32)33)34-15-17-2-3-18(27)12-22(17)28/h2-5,8,11-13,16H,6-7,9-10,14-15H2,1H3
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 15 -44.7n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...

US Patent US9073925 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MJ0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM167876
PNG
(US9073925, 5)
Show SMILES Cn1c2C3CCN(CC3)Cc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(nn1)C(F)(F)F |(5.78,-1.2,;5.01,.13,;5.91,1.38,;7.45,1.38,;8.46,2.54,;8.19,4.05,;6.83,4.78,;6.29,3.67,;7.45,2.68,;5.42,4.18,;5.01,2.62,;3.54,2.15,;2.21,2.92,;.87,2.15,;.87,.61,;2.21,-.16,;3.54,.61,;-.46,-.16,;-.46,-1.7,;-1.79,-2.47,;-3.13,-1.7,;-3.13,-.16,;-1.79,.61,;-1.79,2.15,;-4.46,-2.47,;-5.79,-1.7,;-7.13,-2.47,;-7.13,-4.01,;-5.79,-4.78,;-4.46,-4.01,;-8.46,-4.78,;-9.8,-5.55,;-9.8,-4.01,;-8.46,-6.32,)|
Show InChI InChI=1S/C25H22F3N5O/c1-31-21-13-17(2-3-18(21)19-14-32-9-6-15(7-10-32)24(19)31)33-11-8-16(12-23(33)34)20-4-5-22(30-29-20)25(26,27)28/h2-5,8,11-13,15H,6-7,9-10,14H2,1H3
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US Patent
 23 -43.6n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...

US Patent US9073925 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MJ0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM167882
PNG
(US9073925, 11)
Show SMILES Cn1c2C3CCN(CC3)Cc2c2ccc(nc12)-n1ccc(OCc2ccc(F)cn2)cc1=O |(7.11,-1.2,;6.34,.13,;7.24,1.38,;8.78,1.38,;9.8,2.54,;9.52,4.05,;8.16,4.78,;7.62,3.67,;8.78,2.68,;6.75,4.18,;6.34,2.62,;4.87,2.15,;3.54,2.92,;2.21,2.15,;2.21,.61,;3.54,-.16,;4.87,.61,;.87,-.16,;.87,-1.7,;-.46,-2.47,;-1.79,-1.7,;-3.13,-2.47,;-4.46,-1.7,;-5.79,-2.47,;-7.13,-1.7,;-8.46,-2.47,;-8.46,-4.01,;-9.8,-4.78,;-7.13,-4.78,;-5.79,-4.01,;-1.79,-.16,;-.46,.61,;-.46,2.15,)|
Show InChI InChI=1S/C25H24FN5O2/c1-29-24-16-6-9-30(10-7-16)14-21(24)20-4-5-22(28-25(20)29)31-11-8-19(12-23(31)32)33-15-18-3-2-17(26)13-27-18/h2-5,8,11-13,16H,6-7,9-10,14-15H2,1H3
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 25 -43.4n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...

US Patent US9073925 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MJ0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM167879
PNG
(US9073925, 8)
Show SMILES Cn1c2C3CCN(CC3)Cc2c2ccc(nc12)-n1ccc(OCc2ccccc2)cc1=O |(6.44,-1.2,;5.67,.13,;6.58,1.38,;8.12,1.38,;9.13,2.54,;8.85,4.05,;7.5,4.78,;6.95,3.67,;8.12,2.68,;6.08,4.18,;5.67,2.62,;4.21,2.15,;2.87,2.92,;1.54,2.15,;1.54,.61,;2.87,-.16,;4.21,.61,;.21,-.16,;.21,-1.7,;-1.13,-2.47,;-2.46,-1.7,;-3.79,-2.47,;-5.13,-1.7,;-6.46,-2.47,;-7.8,-1.7,;-9.13,-2.47,;-9.13,-4.01,;-7.8,-4.78,;-6.46,-4.01,;-2.46,-.16,;-1.13,.61,;-1.13,2.15,)|
Show InChI InChI=1S/C26H26N4O2/c1-28-25-19-9-12-29(13-10-19)16-22(25)21-7-8-23(27-26(21)28)30-14-11-20(15-24(30)31)32-17-18-5-3-2-4-6-18/h2-8,11,14-15,19H,9-10,12-13,16-17H2,1H3
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 29 -43.0n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...

US Patent US9073925 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MJ0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM167875
PNG
(US9073925, 4)
Show SMILES Cn1c2C3CCN(CC3)Cc2c2ccc(cc12)-n1ccc(OCc2ccc(F)cn2)cc1=O |(7.11,-1.2,;6.34,.13,;7.24,1.38,;8.78,1.38,;9.8,2.54,;9.52,4.05,;8.16,4.78,;7.62,3.67,;8.78,2.68,;6.75,4.18,;6.34,2.62,;4.87,2.15,;3.54,2.92,;2.21,2.15,;2.21,.61,;3.54,-.16,;4.87,.61,;.87,-.16,;.87,-1.7,;-.46,-2.47,;-1.79,-1.7,;-3.13,-2.47,;-4.46,-1.7,;-5.79,-2.47,;-7.13,-1.7,;-8.46,-2.47,;-8.46,-4.01,;-9.8,-4.78,;-7.13,-4.78,;-5.79,-4.01,;-1.79,-.16,;-.46,.61,;-.46,2.15,)|
Show InChI InChI=1S/C26H25FN4O2/c1-29-24-12-20(4-5-22(24)23-15-30-9-6-17(7-10-30)26(23)29)31-11-8-21(13-25(31)32)33-16-19-3-2-18(27)14-28-19/h2-5,8,11-14,17H,6-7,9-10,15-16H2,1H3
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 44 -42.0n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...

US Patent US9073925 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MJ0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM167877
PNG
(US9073925, 6)
Show SMILES Cn1c2C3CCN(CC3)Cc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(cn1)C(F)(F)F |(5.78,-1.2,;5.01,.13,;5.91,1.38,;7.45,1.38,;8.46,2.54,;8.19,4.05,;6.83,4.78,;6.29,3.67,;7.45,2.68,;5.42,4.18,;5.01,2.62,;3.54,2.15,;2.21,2.92,;.87,2.15,;.87,.61,;2.21,-.16,;3.54,.61,;-.46,-.16,;-.46,-1.7,;-1.79,-2.47,;-3.13,-1.7,;-3.13,-.16,;-1.79,.61,;-1.79,2.15,;-4.46,-2.47,;-5.79,-1.7,;-7.13,-2.47,;-7.13,-4.01,;-5.79,-4.78,;-4.46,-4.01,;-8.46,-4.78,;-9.8,-5.55,;-9.8,-4.01,;-8.46,-6.32,)|
Show InChI InChI=1S/C26H23F3N4O/c1-31-23-13-19(3-4-20(23)21-15-32-9-6-16(7-10-32)25(21)31)33-11-8-17(12-24(33)34)22-5-2-18(14-30-22)26(27,28)29/h2-5,8,11-14,16H,6-7,9-10,15H2,1H3
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 123 -39.4n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...

US Patent US9073925 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MJ0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%