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Patent code US8563583

Compile Data Set for Download or QSAR
Found 6 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))		BDBM103905
PNG
(JNK3 inhibitor 2 | US8563583, C-1)
Show SMILES COc1cc(ccc1OCCO)-n1ccc(cc1=O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H18F3NO5/c1-28-19-13-16(4-7-18(19)29-11-10-26)25-9-8-15(12-20(25)27)14-2-5-17(6-3-14)30-21(22,23)24/h2-9,12-13,26H,10-11H2,1H3
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 3n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were characterized in an in vitro binding assay to determine their Ki or ability to antagonized binding of a peptide agonist to the human m...

US Patent US8563583 (2013)


BindingDB Entry DOI: 10.7270/Q22F7M2Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM103907
PNG
(JNK3 inhibitor 4 | US8563583, D-4)
Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(SCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C23H24ClNO4S/c1-23(2,27)15-29-20-9-8-18(12-21(20)28-3)25-11-10-19(13-22(25)26)30-14-16-4-6-17(24)7-5-16/h4-13,27H,14-15H2,1-3H3
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 4n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were characterized in an in vitro binding assay to determine their Ki or ability to antagonized binding of a peptide agonist to the human m...

US Patent US8563583 (2013)


BindingDB Entry DOI: 10.7270/Q22F7M2Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM103906
PNG
(JNK3 inhibitor 3 | US8563583, B-2)
Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(cc1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO4/c1-22(2,29)14-31-19-9-8-18(13-20(19)30-3)27-11-10-16(12-21(27)28)15-4-6-17(7-5-15)23(24,25)26/h4-13,29H,14H2,1-3H3
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 7n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were characterized in an in vitro binding assay to determine their Ki or ability to antagonized binding of a peptide agonist to the human m...

US Patent US8563583 (2013)


BindingDB Entry DOI: 10.7270/Q22F7M2Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM103903
PNG
(Disubstituted aryl-Me ATX inhibitor 10 | US8563583...)
Show SMILES COc1ccc(\C=C2/SC(=NC2=O)N2CCN(C)CC2)cc1OC |c:9|
Show InChI InChI=1S/C17H21N3O3S/c1-19-6-8-20(9-7-19)17-18-16(21)15(24-17)11-12-4-5-13(22-2)14(10-12)23-3/h4-5,10-11H,6-9H2,1-3H3/b15-11-
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Similars
US Patent
 29n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were characterized in an in vitro binding assay to determine their Ki or ability to antagonized binding of a peptide agonist to the human m...

US Patent US8563583 (2013)


BindingDB Entry DOI: 10.7270/Q22F7M2Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM103904
PNG
(JNK3 inhibitor 1 | US8563583, A-33)
Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(CNc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C23H25ClN2O4/c1-23(2,28)15-30-20-9-8-19(13-21(20)29-3)26-11-10-16(12-22(26)27)14-25-18-6-4-17(24)5-7-18/h4-13,25,28H,14-15H2,1-3H3
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 500n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were characterized in an in vitro binding assay to determine their Ki or ability to antagonized binding of a peptide agonist to the human m...

US Patent US8563583 (2013)


BindingDB Entry DOI: 10.7270/Q22F7M2Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM103902
PNG
(Disubstituted aryl-Me ATX inhibitor 9 | US8563583,...)
Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(COc2ccccn2)cc1=O
Show InChI InChI=1S/C22H24N2O5/c1-22(2,26)15-29-18-8-7-17(13-19(18)27-3)24-11-9-16(12-21(24)25)14-28-20-6-4-5-10-23-20/h4-13,26H,14-15H2,1-3H3
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 2.34E+3n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were characterized in an in vitro binding assay to determine their Ki or ability to antagonized binding of a peptide agonist to the human m...

US Patent US8563583 (2013)


BindingDB Entry DOI: 10.7270/Q22F7M2Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%