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Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'schmoll' and Initial = 'd'   
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
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM50332563
PNG
(CHEMBL1630721 | trans-(S)-N-(4-(4-(6-isopropoxypyr...)
Show SMILES CC(C)Oc1ccc(O[C@H]2CC[C@H](CC[C@H](C)NC(C)=O)CC2)cn1 |r,wU:15.15,9.8,wD:12.12,(-5.64,-6.46,;-4.31,-5.7,;-4.3,-4.16,;-2.97,-6.47,;-1.64,-5.7,;-.3,-6.47,;1.03,-5.7,;1.03,-4.15,;2.36,-3.37,;3.7,-4.14,;5.02,-3.36,;6.35,-4.11,;6.36,-5.66,;7.7,-6.43,;9.03,-5.65,;10.37,-6.41,;10.35,-7.95,;11.7,-5.63,;13.03,-6.4,;14.36,-5.62,;13.04,-7.94,;5.03,-6.44,;3.7,-5.67,;-.31,-3.38,;-1.64,-4.15,)|
Show InChI InChI=1S/C20H32N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h11-15,17-18H,5-10H2,1-4H3,(H,22,23)/t15-,17-,18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay

J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174389
PNG
(1-(2-Chloro-4-fluoro-benzoyl)-3-(5-hydroxy-2-metho...)
Show SMILES COc1ccc(O)cc1NC(=O)NC(=O)c1ccc(F)cc1Cl
Show InChI InChI=1S/C15H12ClFN2O4/c1-23-13-5-3-9(20)7-12(13)18-15(22)19-14(21)10-4-2-8(17)6-11(10)16/h2-7,20H,1H3,(H2,18,19,21,22)
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n/an/a 22.9n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174389
PNG
(1-(2-Chloro-4-fluoro-benzoyl)-3-(5-hydroxy-2-metho...)
Show SMILES COc1ccc(O)cc1NC(=O)NC(=O)c1ccc(F)cc1Cl
Show InChI InChI=1S/C15H12ClFN2O4/c1-23-13-5-3-9(20)7-12(13)18-15(22)19-14(21)10-4-2-8(17)6-11(10)16/h2-7,20H,1H3,(H2,18,19,21,22)
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n/an/a 23n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM97610
PNG
(CHEMBL1630715 | US8470841, 35)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r|
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1
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n/an/a 30n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM97610
PNG
(CHEMBL1630715 | US8470841, 35)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r|
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay

J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM97600
PNG
(US8470841, 12)
Show SMILES CC(CCc1ccc(Oc2ccc(OCC3CCC3)cn2)cc1)NC(C)=O
Show InChI InChI=1S/C22H28N2O3/c1-16(24-17(2)25)6-7-18-8-10-20(11-9-18)27-22-13-12-21(14-23-22)26-15-19-4-3-5-19/h8-14,16,19H,3-7,15H2,1-2H3,(H,24,25)
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n/an/a 50n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM97601
PNG
(US8470841, 17)
Show SMILES CC(=O)NCCC[C@H]1OC[C@@H](CO1)Oc1ccc(OCc2ccccc2)cn1 |r,wU:7.6,wD:10.13,(9.36,-9.03,;9.76,-7.54,;11.25,-7.14,;8.67,-6.45,;7.18,-6.85,;6.1,-5.76,;4.61,-6.16,;3.52,-5.07,;2.03,-5.47,;.94,-4.38,;1.34,-2.9,;2.83,-2.5,;3.92,-3.59,;.25,-1.81,;-1.23,-2.21,;-1.63,-3.69,;-3.12,-4.09,;-4.21,-3,;-5.7,-3.4,;-6.79,-2.31,;-8.27,-2.71,;-9.36,-1.62,;-10.85,-2.02,;-11.25,-3.51,;-10.16,-4.6,;-8.67,-4.2,;-3.81,-1.51,;-2.32,-1.12,)|
Show InChI InChI=1S/C21H26N2O5/c1-16(24)22-11-5-8-21-26-14-19(15-27-21)28-20-10-9-18(12-23-20)25-13-17-6-3-2-4-7-17/h2-4,6-7,9-10,12,19,21H,5,8,11,13-15H2,1H3,(H,22,24)/t19-,21-
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n/an/a 50n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174381
PNG
(4-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-2-hyd...)
Show SMILES COc1cc(C(O)=O)c(O)cc1NC(=O)NC(=O)c1cc(F)c(F)cc1Cl
Show InChI InChI=1S/C16H11ClF2N2O6/c1-27-13-3-7(15(24)25)12(22)5-11(13)20-16(26)21-14(23)6-2-9(18)10(19)4-8(6)17/h2-5,22H,1H3,(H,24,25)(H2,20,21,23,26)
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n/an/a 50n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174381
PNG
(4-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-2-hyd...)
Show SMILES COc1cc(C(O)=O)c(O)cc1NC(=O)NC(=O)c1cc(F)c(F)cc1Cl
Show InChI InChI=1S/C16H11ClF2N2O6/c1-27-13-3-7(15(24)25)12(22)5-11(13)20-16(26)21-14(23)6-2-9(18)10(19)4-8(6)17/h2-5,22H,1H3,(H,24,25)(H2,20,21,23,26)
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n/an/a 50.1n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174379
PNG
(1-{3-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-...)
Show SMILES CNC(=O)Nc1ccc(OC)c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)c1
Show InChI InChI=1S/C17H15ClF2N4O4/c1-21-16(26)22-8-3-4-14(28-2)13(5-8)23-17(27)24-15(25)9-6-11(19)12(20)7-10(9)18/h3-7H,1-2H3,(H2,21,22,26)(H2,23,24,25,27)
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n/an/a 52.5n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174379
PNG
(1-{3-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-...)
Show SMILES CNC(=O)Nc1ccc(OC)c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)c1
Show InChI InChI=1S/C17H15ClF2N4O4/c1-21-16(26)22-8-3-4-14(28-2)13(5-8)23-17(27)24-15(25)9-6-11(19)12(20)7-10(9)18/h3-7H,1-2H3,(H2,21,22,26)(H2,23,24,25,27)
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n/an/a 53n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174375
PNG
(CHEMBL381870 | N-{3-[3-(2-Chloro-4,5-difluoro-benz...)
Show SMILES COc1ccc(NC(C)=O)cc1NC(=O)NC(=O)c1cc(F)c(F)cc1Cl
Show InChI InChI=1S/C17H14ClF2N3O4/c1-8(24)21-9-3-4-15(27-2)14(5-9)22-17(26)23-16(25)10-6-12(19)13(20)7-11(10)18/h3-7H,1-2H3,(H,21,24)(H2,22,23,25,26)
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n/an/a 60n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174397
PNG
(CHEMBL370848 | N-{4-Chloro-3-[3-(2-chloro-4,5-difl...)
Show SMILES CC(=O)Nc1ccc(Cl)c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)c1
Show InChI InChI=1S/C16H11Cl2F2N3O3/c1-7(24)21-8-2-3-10(17)14(4-8)22-16(26)23-15(25)9-5-12(19)13(20)6-11(9)18/h2-6H,1H3,(H,21,24)(H2,22,23,25,26)
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n/an/a 60n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM97609
PNG
(US8470841, 33)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(C)=O)cc2)cn1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)
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n/an/a 60n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM50332562
PNG
(CHEMBL1630516 | N-{(S)-3-[2-(4-isopropoxy-phenoxy)...)
Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#C[C@H](C)NC(C)=O)cc1 |r|
Show InChI InChI=1S/C18H20N2O3S/c1-12(2)22-15-6-8-16(9-7-15)23-18-19-11-17(24-18)10-5-13(3)20-14(4)21/h6-9,11-13H,1-4H3,(H,20,21)/t13-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay

J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM50332564
PNG
(CHEMBL1630703 | trans-(S)-N-(1-(4-(6-isopropoxypyr...)
Show SMILES CC(C)Oc1ccc(O[C@H]2CC[C@@H](CC2)OC[C@H](C)NC(C)=O)cn1 |r,wU:17.18,9.8,wD:12.15,(37.18,-12.08,;38.51,-11.31,;38.51,-9.77,;39.84,-12.08,;41.18,-11.31,;42.51,-12.08,;43.85,-11.31,;43.84,-9.77,;45.17,-8.99,;46.51,-9.75,;47.83,-8.97,;49.17,-9.73,;49.18,-11.28,;47.85,-12.05,;46.51,-11.29,;50.52,-12.04,;51.85,-11.26,;53.18,-12.03,;53.17,-13.56,;54.51,-11.25,;55.85,-12.01,;57.18,-11.24,;55.86,-13.55,;42.51,-9,;41.18,-9.77,)|
Show InChI InChI=1S/C19H30N2O4/c1-13(2)24-19-10-9-18(11-20-19)25-17-7-5-16(6-8-17)23-12-14(3)21-15(4)22/h9-11,13-14,16-17H,5-8,12H2,1-4H3,(H,21,22)/t14-,16-,17-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay

J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174397
PNG
(CHEMBL370848 | N-{4-Chloro-3-[3-(2-chloro-4,5-difl...)
Show SMILES CC(=O)Nc1ccc(Cl)c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)c1
Show InChI InChI=1S/C16H11Cl2F2N3O3/c1-7(24)21-8-2-3-10(17)14(4-8)22-16(26)23-15(25)9-5-12(19)13(20)6-11(9)18/h2-6H,1H3,(H,21,24)(H2,22,23,25,26)
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n/an/a 60.3n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174375
PNG
(CHEMBL381870 | N-{3-[3-(2-Chloro-4,5-difluoro-benz...)
Show SMILES COc1ccc(NC(C)=O)cc1NC(=O)NC(=O)c1cc(F)c(F)cc1Cl
Show InChI InChI=1S/C17H14ClF2N3O4/c1-8(24)21-9-3-4-15(27-2)14(5-9)22-17(26)23-16(25)10-6-12(19)13(20)7-11(10)18/h3-7H,1-2H3,(H,21,24)(H2,22,23,25,26)
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n/an/a 60.3n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174372
PNG
(1-(2-Chloro-benzoyl)-3-(5-hydroxy-2-methoxy-phenyl...)
Show SMILES COc1ccc(O)cc1NC(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C15H13ClN2O4/c1-22-13-7-6-9(19)8-12(13)17-15(21)18-14(20)10-4-2-3-5-11(10)16/h2-8,19H,1H3,(H2,17,18,20,21)
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n/an/a 64.6n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174372
PNG
(1-(2-Chloro-benzoyl)-3-(5-hydroxy-2-methoxy-phenyl...)
Show SMILES COc1ccc(O)cc1NC(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C15H13ClN2O4/c1-22-13-7-6-9(19)8-12(13)17-15(21)18-14(20)10-4-2-3-5-11(10)16/h2-8,19H,1H3,(H2,17,18,20,21)
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n/an/a 65n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM50332554
PNG
(CHEMBL1630706 | trans-N-(3-(5-(5-(benzyloxy)pyridi...)
Show SMILES CC(=O)NCCC[C@H]1OC[C@@H](CO1)Oc1ccc(OCc2ccccc2)cn1 |r,wU:10.13,wD:7.6,(36.32,-14.16,;34.99,-14.93,;34.99,-16.47,;33.65,-14.16,;32.32,-14.93,;30.99,-14.16,;29.65,-14.92,;28.32,-14.16,;28.32,-12.61,;26.98,-11.84,;25.66,-12.62,;25.66,-14.16,;26.99,-14.92,;24.32,-11.84,;22.99,-12.63,;23,-14.18,;21.66,-14.95,;20.33,-14.18,;18.99,-14.95,;17.66,-14.18,;16.33,-14.94,;14.99,-14.18,;13.66,-14.94,;13.66,-16.48,;15,-17.25,;16.33,-16.48,;20.33,-12.63,;21.66,-11.86,)|
Show InChI InChI=1S/C21H26N2O5/c1-16(24)22-11-5-8-21-26-14-19(15-27-21)28-20-10-9-18(12-23-20)25-13-17-6-3-2-4-7-17/h2-4,6-7,9-10,12,19,21H,5,8,11,13-15H2,1H3,(H,22,24)/t19-,21-
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n/an/a 70n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay

J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM97611
PNG
(CHEMBL1630712 | US8470841, 36)
Show SMILES CC(CCc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1)NC(C)=O
Show InChI InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-23-14-15-24(25-16-23)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)
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n/an/a 70n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM50189617
PNG
((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...)
Show SMILES O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay

J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174366
PNG
(1-(2-Chloro-4-fluoro-benzoyl)-3-[4-(1H-tetrazol-5-...)
Show SMILES Fc1ccc(C(=O)NC(=O)Nc2ccc(cc2OC(F)(F)F)-c2nnn[nH]2)c(Cl)c1
Show InChI InChI=1S/C16H9ClF4N6O3/c17-10-6-8(18)2-3-9(10)14(28)23-15(29)22-11-4-1-7(13-24-26-27-25-13)5-12(11)30-16(19,20)21/h1-6H,(H2,22,23,28,29)(H,24,25,26,27)
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n/an/a 79.4n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM97622
PNG
(CHEMBL1630701 | US8470841, 51)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1 |r|
Show InChI InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)/t16-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay

J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM97623
PNG
(US8470841, 52)
Show SMILES CC(C)Oc1ccc(OC2CCC(CCC(C)NC(C)=O)CC2)cn1 |(-10,-.77,;-8.67,,;-8.67,1.54,;-7.34,-.77,;-6,,;-6,1.54,;-4.67,2.31,;-3.33,1.54,;-2,2.31,;-.67,1.54,;-.67,,;.67,-.77,;2,,;3.33,-.77,;4.67,,;6,-.77,;6,-2.31,;7.34,,;8.67,-.77,;8.67,-2.31,;10,,;2,1.54,;.67,2.31,;-3.33,,;-4.67,-.77,)|
Show InChI InChI=1S/C20H32N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h11-15,17-18H,5-10H2,1-4H3,(H,22,23)
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n/an/a 80n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM97611
PNG
(CHEMBL1630712 | US8470841, 36)
Show SMILES CC(CCc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1)NC(C)=O
Show InChI InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-23-14-15-24(25-16-23)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)
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n/an/a 80n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay

J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM97622
PNG
(CHEMBL1630701 | US8470841, 51)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1 |r|
Show InChI InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)/t16-/m0/s1
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n/an/a 80n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174366
PNG
(1-(2-Chloro-4-fluoro-benzoyl)-3-[4-(1H-tetrazol-5-...)
Show SMILES Fc1ccc(C(=O)NC(=O)Nc2ccc(cc2OC(F)(F)F)-c2nnn[nH]2)c(Cl)c1
Show InChI InChI=1S/C16H9ClF4N6O3/c17-10-6-8(18)2-3-9(10)14(28)23-15(29)22-11-4-1-7(13-24-26-27-25-13)5-12(11)30-16(19,20)21/h1-6H,(H2,22,23,28,29)(H,24,25,26,27)
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n/an/a 80n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174384
PNG
(5-Chloro-4-[3-(2-chloro-4,5-difluoro-benzoyl)-urei...)
Show SMILES OC(=O)c1cc(Cl)c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc1O
Show InChI InChI=1S/C15H8Cl2F2N2O5/c16-7-3-10(19)9(18)2-5(7)13(23)21-15(26)20-11-4-12(22)6(14(24)25)1-8(11)17/h1-4,22H,(H,24,25)(H2,20,21,23,26)
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n/an/a 89.1n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174384
PNG
(5-Chloro-4-[3-(2-chloro-4,5-difluoro-benzoyl)-urei...)
Show SMILES OC(=O)c1cc(Cl)c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc1O
Show InChI InChI=1S/C15H8Cl2F2N2O5/c16-7-3-10(19)9(18)2-5(7)13(23)21-15(26)20-11-4-12(22)6(14(24)25)1-8(11)17/h1-4,22H,(H,24,25)(H2,20,21,23,26)
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n/an/a 90n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM97615
PNG
(US8470841, 44)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(=O)C3CC3)cc2)cn1
Show InChI InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)
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n/an/a 90n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM64583
PNG
(BDBM50332551 | US8470841, 19)
Show SMILES C[C@@H](CCc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1)NC(C)=O |r|
Show InChI InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-24-15-14-23(16-25-24)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)/t18-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay

J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM64583
PNG
(BDBM50332551 | US8470841, 19)
Show SMILES C[C@@H](CCc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1)NC(C)=O |r|
Show InChI InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-24-15-14-23(16-25-24)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)/t18-/m0/s1
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n/an/a 100n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174378
PNG
(1-(2-Chloro-4-fluoro-benzoyl)-3-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(NC(=O)NC(=O)c2ccc(F)cc2Cl)cc1O
Show InChI InChI=1S/C14H10ClFN2O4/c15-10-5-7(16)1-3-9(10)13(21)18-14(22)17-8-2-4-11(19)12(20)6-8/h1-6,19-20H,(H2,17,18,21,22)
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n/an/a 120n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM97624
PNG
(US8470841, 59)
Show SMILES CC(C)Oc1ccc(Oc2ccc(OC[C@H](C)NC(C)=O)cc2)cc1 |r|
Show InChI InChI=1S/C20H25NO4/c1-14(2)24-18-9-11-20(12-10-18)25-19-7-5-17(6-8-19)23-13-15(3)21-16(4)22/h5-12,14-15H,13H2,1-4H3,(H,21,22)/t15-/m0/s1
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n/an/a 120n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174378
PNG
(1-(2-Chloro-4-fluoro-benzoyl)-3-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(NC(=O)NC(=O)c2ccc(F)cc2Cl)cc1O
Show InChI InChI=1S/C14H10ClFN2O4/c15-10-5-7(16)1-3-9(10)13(21)18-14(22)17-8-2-4-11(19)12(20)6-8/h1-6,19-20H,(H2,17,18,21,22)
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n/an/a 120n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM50332552
PNG
(CHEMBL1630708 | N-(4-(4-(5-(cyclopentyloxy)pyridin...)
Show SMILES CC(CCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1)NC(C)=O
Show InChI InChI=1S/C22H28N2O3/c1-16(24-17(2)25)7-8-18-9-11-20(12-10-18)27-22-14-13-21(15-23-22)26-19-5-3-4-6-19/h9-16,19H,3-8H2,1-2H3,(H,24,25)
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n/an/a 140n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM50332552
PNG
(CHEMBL1630708 | N-(4-(4-(5-(cyclopentyloxy)pyridin...)
Show SMILES CC(CCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1)NC(C)=O
Show InChI InChI=1S/C22H28N2O3/c1-16(24-17(2)25)7-8-18-9-11-20(12-10-18)27-22-14-13-21(15-23-22)26-19-5-3-4-6-19/h9-16,19H,3-8H2,1-2H3,(H,24,25)
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n/an/a 140n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay

J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))		BDBM50332563
PNG
(CHEMBL1630721 | trans-(S)-N-(4-(4-(6-isopropoxypyr...)
Show SMILES CC(C)Oc1ccc(O[C@H]2CC[C@H](CC[C@H](C)NC(C)=O)CC2)cn1 |r,wU:15.15,9.8,wD:12.12,(-5.64,-6.46,;-4.31,-5.7,;-4.3,-4.16,;-2.97,-6.47,;-1.64,-5.7,;-.3,-6.47,;1.03,-5.7,;1.03,-4.15,;2.36,-3.37,;3.7,-4.14,;5.02,-3.36,;6.35,-4.11,;6.36,-5.66,;7.7,-6.43,;9.03,-5.65,;10.37,-6.41,;10.35,-7.95,;11.7,-5.63,;13.03,-6.4,;14.36,-5.62,;13.04,-7.94,;5.03,-6.44,;3.7,-5.67,;-.31,-3.38,;-1.64,-4.15,)|
Show InChI InChI=1S/C20H32N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h11-15,17-18H,5-10H2,1-4H3,(H,22,23)/t15-,17-,18-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay

J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM97597
PNG
(US8470841, 9)
Show SMILES CC(CCc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1)NC(C)=O
Show InChI InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-24-15-14-23(16-25-24)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)
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n/an/a 140n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM97599
PNG
(US8470841, 11)
Show SMILES CCCOc1ccc(Oc2ccc(CCC(C)NC(C)=O)cc2)nc1
Show InChI InChI=1S/C20H26N2O3/c1-4-13-24-19-11-12-20(21-14-19)25-18-9-7-17(8-10-18)6-5-15(2)22-16(3)23/h7-12,14-15H,4-6,13H2,1-3H3,(H,22,23)
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n/an/a 140n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM97598
PNG
(US8470841, 10)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(C)=O)cc2)nc1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)
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n/an/a 150n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174405
PNG
(4-[3-(2-Chloro-4-fluoro-benzoyl)-ureido]-3-trifluo...)
Show SMILES OC(=O)c1ccc(NC(=O)NC(=O)c2ccc(F)cc2Cl)c(OC(F)(F)F)c1
Show InChI InChI=1S/C16H9ClF4N2O5/c17-10-6-8(18)2-3-9(10)13(24)23-15(27)22-11-4-1-7(14(25)26)5-12(11)28-16(19,20)21/h1-6H,(H,25,26)(H2,22,23,24,27)
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n/an/a 150n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458]


(Homo sapiens (Human))		BDBM97618
PNG
(CHEMBL1630702 | US8470841, 47)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(N)=O)cc2)cn1
Show InChI InChI=1S/C19H25N3O3/c1-13(2)24-18-11-10-17(12-21-18)25-16-8-6-15(7-9-16)5-4-14(3)22-19(20)23/h6-14H,4-5H2,1-3H3,(H3,20,22,23)
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n/an/a 150n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174373
PNG
(5-Chloro-4-[3-(2,4-dichloro-benzoyl)-ureido]-2-hyd...)
Show SMILES OC(=O)c1cc(Cl)c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1O
Show InChI InChI=1S/C15H9Cl3N2O5/c16-6-1-2-7(9(17)3-6)13(22)20-15(25)19-11-5-12(21)8(14(23)24)4-10(11)18/h1-5,21H,(H,23,24)(H2,19,20,22,25)
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n/an/a 150n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM97618
PNG
(CHEMBL1630702 | US8470841, 47)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(N)=O)cc2)cn1
Show InChI InChI=1S/C19H25N3O3/c1-13(2)24-18-11-10-17(12-21-18)25-16-8-6-15(7-9-16)5-4-14(3)22-19(20)23/h6-14H,4-5H2,1-3H3,(H3,20,22,23)
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n/an/a 150n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay

J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174405
PNG
(4-[3-(2-Chloro-4-fluoro-benzoyl)-ureido]-3-trifluo...)
Show SMILES OC(=O)c1ccc(NC(=O)NC(=O)c2ccc(F)cc2Cl)c(OC(F)(F)F)c1
Show InChI InChI=1S/C16H9ClF4N2O5/c17-10-6-8(18)2-3-9(10)13(24)23-15(27)22-11-4-1-7(14(25)26)5-12(11)28-16(19,20)21/h1-6H,(H,25,26)(H2,22,23,24,27)
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n/an/a 151n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174373
PNG
(5-Chloro-4-[3-(2,4-dichloro-benzoyl)-ureido]-2-hyd...)
Show SMILES OC(=O)c1cc(Cl)c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1O
Show InChI InChI=1S/C15H9Cl3N2O5/c16-6-1-2-7(9(17)3-6)13(22)20-15(25)19-11-5-12(21)8(14(23)24)4-10(11)18/h1-5,21H,(H,23,24)(H2,19,20,22,25)
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n/an/a 151n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50174374
PNG
(3-Chloro-4-[3-(2-chloro-4-fluoro-benzoyl)-ureido]-...)
Show SMILES OC(=O)c1ccc(NC(=O)NC(=O)c2ccc(F)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C15H9Cl2FN2O4/c16-10-6-8(18)2-3-9(10)13(21)20-15(24)19-12-4-1-7(14(22)23)5-11(12)17/h1-6H,(H,22,23)(H2,19,20,21,24)
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n/an/a 158n/an/an/an/a7.2n/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...

J Med Chem 48: 6178-93 (2005)


Article DOI: 10.1021/jm049034y
BindingDB Entry DOI: 10.7270/Q2FT8KJ5
More data for this
Ligand-Target Pair
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