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USPatent US9169205

Compile Data Set for Download or QSAR

Found 200 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
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186740
PNG
(US9169205, 2.32)
Show SMILES C[C@H](NC(=O)c1cn[nH]c1)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
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n/an/a 16n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186746
PNG
(US9169205, 2.38)
Show SMILES C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C26H29N3O3S/c1-18(28-26(30)25-14-27-17-33-25)20-4-8-23(9-5-20)32-24-12-13-29(15-24)21-6-10-22(11-7-21)31-16-19-2-3-19/h4-11,14,17-19,24H,2-3,12-13,15-16H2,1H3,(H,28,30)/t18-,24+/m0/s1
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n/an/a 17n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186750
PNG
(US9169205, 2.42)
Show SMILES COCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C30H36N4O5S/c1-19(31-29(36)28-20(2)32-30(40-28)33-27(35)18-37-3)22-6-10-25(11-7-22)39-26-14-15-34(16-26)23-8-12-24(13-9-23)38-17-21-4-5-21/h6-13,19,21,26H,4-5,14-18H2,1-3H3,(H,31,36)(H,32,33,35)/t19-,26?/m0/s1
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n/an/a 20n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186749
PNG
(US9169205, 2.41)
Show SMILES CCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C30H36N4O4S/c1-4-27(35)33-30-32-20(3)28(39-30)29(36)31-19(2)22-7-11-25(12-8-22)38-26-15-16-34(17-26)23-9-13-24(14-10-23)37-18-21-5-6-21/h7-14,19,21,26H,4-6,15-18H2,1-3H3,(H,31,36)(H,32,33,35)/t19-,26?/m0/s1
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n/an/a 23n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186619
PNG
(US9169205, 1.16)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cc2)cc1 |r|
Show InChI InChI=1S/C24H28F2N2O3/c1-16(27-17(2)29)18-3-7-22(8-4-18)31-23-11-12-28(14-23)20-5-9-21(10-6-20)30-15-19-13-24(19,25)26/h3-10,16,19,23H,11-15H2,1-2H3,(H,27,29)/t16-,19?,23?/m0/s1
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n/an/a 25n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186730
PNG
(US9169205, 2.22)
Show SMILES C[C@H](NC(=O)c1cnco1)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C26H29N3O4/c1-18(28-26(30)25-14-27-17-32-25)20-4-8-23(9-5-20)33-24-12-13-29(15-24)21-6-10-22(11-7-21)31-16-19-2-3-19/h4-11,14,17-19,24H,2-3,12-13,15-16H2,1H3,(H,28,30)/t18-,24+/m0/s1
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n/an/a 30n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186617
PNG
(US9169205, 1.14)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OC3CCC3)cc2)cc1 |r|
Show InChI InChI=1S/C24H30N2O3/c1-17(25-18(2)27)19-6-10-22(11-7-19)29-24-14-15-26(16-24)20-8-12-23(13-9-20)28-21-4-3-5-21/h6-13,17,21,24H,3-5,14-16H2,1-2H3,(H,25,27)/t17-,24?/m0/s1
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n/an/a 36n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186733
PNG
(US9169205, 2.24)
Show SMILES C[C@H](NC(=O)C(F)F)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C24H28F2N2O3/c1-16(27-24(29)23(25)26)18-4-8-21(9-5-18)31-22-12-13-28(14-22)19-6-10-20(11-7-19)30-15-17-2-3-17/h4-11,16-17,22-23H,2-3,12-15H2,1H3,(H,27,29)/t16-,22+/m0/s1
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n/an/a 38n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186799
PNG
(US9169205, 6)
Show SMILES C[C@H](NC(=O)C(F)(F)F)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C24H27F3N2O3/c1-16(28-23(30)24(25,26)27)18-4-8-21(9-5-18)32-22-12-13-29(14-22)19-6-10-20(11-7-19)31-15-17-2-3-17/h4-11,16-17,22H,2-3,12-15H2,1H3,(H,28,30)/t16-,22?/m0/s1
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n/an/a 39n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186709
PNG
(US9169205, 2.1)
Show SMILES C[C@H](NC(=O)c1sc(NC(C)=O)nc1C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C29H34N4O4S/c1-18(30-28(35)27-19(2)31-29(38-27)32-20(3)34)22-6-10-25(11-7-22)37-26-14-15-33(16-26)23-8-12-24(13-9-23)36-17-21-4-5-21/h6-13,18,21,26H,4-5,14-17H2,1-3H3,(H,30,35)(H,31,32,34)/t18-,26?/m0/s1
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n/an/a 40n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186732
PNG
(US9169205, 2.24)
Show SMILES CCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C25H32N2O3/c1-3-25(28)26-18(2)20-6-10-23(11-7-20)30-24-14-15-27(16-24)21-8-12-22(13-9-21)29-17-19-4-5-19/h6-13,18-19,24H,3-5,14-17H2,1-2H3,(H,26,28)/t18-,24+/m0/s1
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n/an/a 40n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186693
PNG
(US9169205, 1.90)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCCC(F)F)cc2)cc1 |r|
Show InChI InChI=1S/C23H28F2N2O3/c1-16(26-17(2)28)18-3-7-21(8-4-18)30-22-11-13-27(15-22)19-5-9-20(10-6-19)29-14-12-23(24)25/h3-10,16,22-23H,11-15H2,1-2H3,(H,26,28)/t16-,22?/m0/s1
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n/an/a 40n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186762
PNG
(US9169205, 2.54)
Show SMILES CCOc1ccc(cc1)N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(=O)c1sc(NC(=O)COCc2ccccc2)nc1C |r|
Show InChI InChI=1S/C34H38N4O5S/c1-4-42-28-16-12-27(13-17-28)38-19-18-30(20-38)43-29-14-10-26(11-15-29)23(2)35-33(40)32-24(3)36-34(44-32)37-31(39)22-41-21-25-8-6-5-7-9-25/h5-17,23,30H,4,18-22H2,1-3H3,(H,35,40)(H,36,37,39)/t23-,30+/m0/s1
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n/an/a 45n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186644
PNG
(US9169205, 1.41 | US9169205, 1.63)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cc2F)cc1 |r|
Show InChI InChI=1S/C24H27F3N2O3/c1-15(28-16(2)30)17-3-5-19(6-4-17)32-21-9-10-29(13-21)23-8-7-20(11-22(23)25)31-14-18-12-24(18,26)27/h3-8,11,15,18,21H,9-10,12-14H2,1-2H3,(H,28,30)/t15-,18?,21?/m0/s1
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n/an/a 45n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186729
PNG
(US9169205, 2.21)
Show SMILES C[C@H](NC(=O)c1cnoc1C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C27H31N3O4/c1-18(29-27(31)26-15-28-34-19(26)2)21-5-9-24(10-6-21)33-25-13-14-30(16-25)22-7-11-23(12-8-22)32-17-20-3-4-20/h5-12,15,18,20,25H,3-4,13-14,16-17H2,1-2H3,(H,29,31)/t18-,25+/m0/s1
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n/an/a 45n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186734
PNG
(US9169205, 2.26)
Show SMILES C[C@H](NC(=O)c1cn[nH]c1C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
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n/an/a 47n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186797
PNG
(US9169205, 5.1)
Show SMILES COC(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C24H30N2O4/c1-17(25-24(27)28-2)19-5-9-22(10-6-19)30-23-13-14-26(15-23)20-7-11-21(12-8-20)29-16-18-3-4-18/h5-12,17-18,23H,3-4,13-16H2,1-2H3,(H,25,27)/t17-,23?/m0/s1
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n/an/a 49n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186673
PNG
(US9169205, 1.70)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCCCF)cc2)cc1 |r|
Show InChI InChI=1S/C23H29FN2O3/c1-17(25-18(2)27)19-4-8-22(9-5-19)29-23-12-14-26(16-23)20-6-10-21(11-7-20)28-15-3-13-24/h4-11,17,23H,3,12-16H2,1-2H3,(H,25,27)/t17-,23?/m0/s1
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n/an/a 53n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186763
PNG
(US9169205, 10 | US9169205, 2.55)
Show SMILES CCOc1ccc(cc1)N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(=O)c1sc(NC(=O)COC(C)=O)nc1C |r|
Show InChI InChI=1S/C29H34N4O6S/c1-5-37-23-12-8-22(9-13-23)33-15-14-25(16-33)39-24-10-6-21(7-11-24)18(2)30-28(36)27-19(3)31-29(40-27)32-26(35)17-38-20(4)34/h6-13,18,25H,5,14-17H2,1-4H3,(H,30,36)(H,31,32,35)/t18-,25+/m0/s1
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n/an/a 53n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186604
PNG
(US9169205, 1.1)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C24H30N2O3/c1-17(25-18(2)27)20-5-9-23(10-6-20)29-24-13-14-26(15-24)21-7-11-22(12-8-21)28-16-19-3-4-19/h5-12,17,19,24H,3-4,13-16H2,1-2H3,(H,25,27)/t17-,24?/m0/s1
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n/an/a 54n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186752
PNG
(US9169205, 2.44)
Show SMILES C[C@H](NC(=O)c1cnn(C)c1Cl)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C27H31ClN4O3/c1-18(30-27(33)25-15-29-31(2)26(25)28)20-5-9-23(10-6-20)35-24-13-14-32(16-24)21-7-11-22(12-8-21)34-17-19-3-4-19/h5-12,15,18-19,24H,3-4,13-14,16-17H2,1-2H3,(H,30,33)/t18-,24+/m0/s1
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n/an/a 55n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186776
PNG
(US9169205, 3.2)
Show SMILES CCNC(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-3-26-25(29)27-18(2)20-6-10-23(11-7-20)31-24-14-15-28(16-24)21-8-12-22(13-9-21)30-17-19-4-5-19/h6-13,18-19,24H,3-5,14-17H2,1-2H3,(H2,26,27,29)/t18-,24?/m0/s1
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n/an/a 55n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186731
PNG
(US9169205, 2.23)
Show SMILES C[C@H](NC(=O)C(C)C#N)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C26H31N3O3/c1-18(15-27)26(30)28-19(2)21-5-9-24(10-6-21)32-25-13-14-29(16-25)22-7-11-23(12-8-22)31-17-20-3-4-20/h5-12,18-20,25H,3-4,13-14,16-17H2,1-2H3,(H,28,30)/t18?,19-,25+/m0/s1
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n/an/a 56n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186781
PNG
(US9169205, 3.7)
Show SMILES C[C@H](NC(=O)Nc1ccon1)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C26H30N4O4/c1-18(27-26(31)28-25-13-15-33-29-25)20-4-8-23(9-5-20)34-24-12-14-30(16-24)21-6-10-22(11-7-21)32-17-19-2-3-19/h4-11,13,15,18-19,24H,2-3,12,14,16-17H2,1H3,(H2,27,28,29,31)/t18-,24?/m0/s1
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n/an/a 56n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186632
PNG
(US9169205, 1.29)
Show SMILES CCCOc1ccc(N2CCC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(Cl)c1 |r|
Show InChI InChI=1S/C23H29ClN2O3/c1-4-13-28-20-9-10-23(22(24)14-20)26-12-11-21(15-26)29-19-7-5-18(6-8-19)16(2)25-17(3)27/h5-10,14,16,21H,4,11-13,15H2,1-3H3,(H,25,27)/t16-,21?/m0/s1
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n/an/a 60n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186807
PNG
(US9169205, 8.3)
Show SMILES C[C@H](NC(=O)c1ccno1)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C26H29N3O4/c1-18(28-26(30)25-12-14-27-33-25)20-4-8-23(9-5-20)32-24-13-15-29(16-24)21-6-10-22(11-7-21)31-17-19-2-3-19/h4-12,14,18-19,24H,2-3,13,15-17H2,1H3,(H,28,30)/t18-,24+/m0/s1
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n/an/a 61n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186699
PNG
(US9169205, 1.96)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCC3CC(F)(F)C3)cc2)cc1 |r|
Show InChI InChI=1S/C25H30F2N2O3/c1-17(28-18(2)30)20-3-7-23(8-4-20)32-24-11-12-29(15-24)21-5-9-22(10-6-21)31-16-19-13-25(26,27)14-19/h3-10,17,19,24H,11-16H2,1-2H3,(H,28,30)/t17-,24?/m0/s1
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n/an/a 61n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186701
PNG
(US9169205, 1.98)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)c(F)c2)cc1 |r|
Show InChI InChI=1S/C24H27F3N2O3/c1-15(28-16(2)30)17-3-6-20(7-4-17)32-21-9-10-29(13-21)19-5-8-23(22(25)11-19)31-14-18-12-24(18,26)27/h3-8,11,15,18,21H,9-10,12-14H2,1-2H3,(H,28,30)/t15-,18?,21?/m0/s1
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n/an/a 64n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186745
PNG
(US9169205, 2.37)
Show SMILES C[C@H](NC(=O)c1conc1C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C27H31N3O4/c1-18(28-27(31)26-17-33-29-19(26)2)21-5-9-24(10-6-21)34-25-13-14-30(15-25)22-7-11-23(12-8-22)32-16-20-3-4-20/h5-12,17-18,20,25H,3-4,13-16H2,1-2H3,(H,28,31)/t18-,25+/m0/s1
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n/an/a 65n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186689
PNG
(US9169205, 1.86)
Show SMILES CCCOc1ccc(N2CCC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(C)c1 |r|
Show InChI InChI=1S/C24H32N2O3/c1-5-14-28-22-10-11-24(17(2)15-22)26-13-12-23(16-26)29-21-8-6-20(7-9-21)18(3)25-19(4)27/h6-11,15,18,23H,5,12-14,16H2,1-4H3,(H,25,27)/t18-,23?/m0/s1
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n/an/a 65n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186758
PNG
(US9169205, 2.50)
Show SMILES C[C@H](NC(=O)c1cnn(C)c1N)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C27H33N5O3/c1-18(30-27(33)25-15-29-31(2)26(25)28)20-5-9-23(10-6-20)35-24-13-14-32(16-24)21-7-11-22(12-8-21)34-17-19-3-4-19/h5-12,15,18-19,24H,3-4,13-14,16-17,28H2,1-2H3,(H,30,33)/t18-,24+/m0/s1
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n/an/a 65n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186687
PNG
(US9169205, 1.84)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2C)cc1 |r|
Show InChI InChI=1S/C25H32N2O3/c1-17-14-23(29-16-20-4-5-20)10-11-25(17)27-13-12-24(15-27)30-22-8-6-21(7-9-22)18(2)26-19(3)28/h6-11,14,18,20,24H,4-5,12-13,15-16H2,1-3H3,(H,26,28)/t18-,24?/m0/s1
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n/an/a 69n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186742
PNG
(US9169205, 2.34)
Show SMILES C[C@H](NC(=O)c1ccon1)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C26H29N3O4/c1-18(27-26(30)25-13-15-32-28-25)20-4-8-23(9-5-20)33-24-12-14-29(16-24)21-6-10-22(11-7-21)31-17-19-2-3-19/h4-11,13,15,18-19,24H,2-3,12,14,16-17H2,1H3,(H,27,30)/t18-,24+/m0/s1
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n/an/a 71n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186739
PNG
(US9169205, 2.31)
Show SMILES C[C@H](NC(=O)CC#N)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C25H29N3O3/c1-18(27-25(29)12-14-26)20-4-8-23(9-5-20)31-24-13-15-28(16-24)21-6-10-22(11-7-21)30-17-19-2-3-19/h4-11,18-19,24H,2-3,12-13,15-17H2,1H3,(H,27,29)/t18-,24+/m0/s1
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n/an/a 71n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186782
PNG
(US9169205, 3.8)
Show SMILES CNC(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C24H31N3O3/c1-17(26-24(28)25-2)19-5-9-22(10-6-19)30-23-13-14-27(15-23)20-7-11-21(12-8-20)29-16-18-3-4-18/h5-12,17-18,23H,3-4,13-16H2,1-2H3,(H2,25,26,28)/t17-,23?/m0/s1
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n/an/a 73n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186775
PNG
(US9169205, 3.1)
Show SMILES C[C@H](NC(=O)N(C)C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-18(26-25(29)27(2)3)20-6-10-23(11-7-20)31-24-14-15-28(16-24)21-8-12-22(13-9-21)30-17-19-4-5-19/h6-13,18-19,24H,4-5,14-17H2,1-3H3,(H,26,29)/t18-,24?/m0/s1
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n/an/a 74n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186718
PNG
(US9169205, 2.10)
Show SMILES C[C@H](NC(=O)C1(C)CC1)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C27H34N2O3/c1-19(28-26(30)27(2)14-15-27)21-5-9-24(10-6-21)32-25-13-16-29(17-25)22-7-11-23(12-8-22)31-18-20-3-4-20/h5-12,19-20,25H,3-4,13-18H2,1-2H3,(H,28,30)/t19-,25+/m0/s1
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n/an/a 79n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186626
PNG
(US9169205, 1.23)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc3OCCCOc3c2)cc1 |r|
Show InChI InChI=1S/C23H28N2O4/c1-16(24-17(2)26)18-4-7-20(8-5-18)29-21-10-11-25(15-21)19-6-9-22-23(14-19)28-13-3-12-27-22/h4-9,14,16,21H,3,10-13,15H2,1-2H3,(H,24,26)/t16-,21?/m0/s1
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n/an/a 84n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186694
PNG
(US9169205, 1.91)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCC(C)(F)F)cc2)cc1 |r|
Show InChI InChI=1S/C23H28F2N2O3/c1-16(26-17(2)28)18-4-8-21(9-5-18)30-22-12-13-27(14-22)19-6-10-20(11-7-19)29-15-23(3,24)25/h4-11,16,22H,12-15H2,1-3H3,(H,26,28)/t16-,22?/m0/s1
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n/an/a 85n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186628
PNG
(US9169205, 1.25)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OC3CC3)cc2C)cc1 |r|
Show InChI InChI=1S/C24H30N2O3/c1-16-14-22(28-21-8-9-21)10-11-24(16)26-13-12-23(15-26)29-20-6-4-19(5-7-20)17(2)25-18(3)27/h4-7,10-11,14,17,21,23H,8-9,12-13,15H2,1-3H3,(H,25,27)/t17-,23?/m0/s1
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n/an/a 86n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186703
PNG
(US9169205, 1.100)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)c(F)c2)cc1 |r|
Show InChI InChI=1S/C24H29FN2O3/c1-16(26-17(2)28)19-5-8-21(9-6-19)30-22-11-12-27(14-22)20-7-10-24(23(25)13-20)29-15-18-3-4-18/h5-10,13,16,18,22H,3-4,11-12,14-15H2,1-2H3,(H,26,28)/t16-,22?/m0/s1
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n/an/a 87n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186773
PNG
(US9169205, 2.65)
Show SMILES C[C@H](NC(=O)c1cnoc1C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OC3CC3)cc2C)cc1 |r|
Show InChI InChI=1S/C27H31N3O4/c1-17-14-23(32-22-8-9-22)10-11-26(17)30-13-12-24(16-30)33-21-6-4-20(5-7-21)18(2)29-27(31)25-15-28-34-19(25)3/h4-7,10-11,14-15,18,22,24H,8-9,12-13,16H2,1-3H3,(H,29,31)/t18-,24+/m0/s1
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n/an/a 90n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186639
PNG
(US9169205, 1.36)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2cc3OCCCOc3cc2F)cc1 |r|
Show InChI InChI=1S/C23H27FN2O4/c1-15(25-16(2)27)17-4-6-18(7-5-17)30-19-8-9-26(14-19)21-13-23-22(12-20(21)24)28-10-3-11-29-23/h4-7,12-13,15,19H,3,8-11,14H2,1-2H3,(H,25,27)/t15-,19?/m0/s1
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n/an/a 97n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186691
PNG
(US9169205, 1.88)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCCCF)cc2C)cc1 |r|
Show InChI InChI=1S/C24H31FN2O3/c1-17-15-22(29-14-4-12-25)9-10-24(17)27-13-11-23(16-27)30-21-7-5-20(6-8-21)18(2)26-19(3)28/h5-10,15,18,23H,4,11-14,16H2,1-3H3,(H,26,28)/t18-,23?/m0/s1
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n/an/a 102n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186736
PNG
(US9169205, 2.28)
Show SMILES C[C@H](NC(=O)c1ccns1)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C26H29N3O3S/c1-18(28-26(30)25-12-14-27-33-25)20-4-8-23(9-5-20)32-24-13-15-29(16-24)21-6-10-22(11-7-21)31-17-19-2-3-19/h4-12,14,18-19,24H,2-3,13,15-17H2,1H3,(H,28,30)/t18-,24+/m0/s1
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n/an/a 105n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186735
PNG
(US9169205, 2.27)
Show SMILES C[C@H](NC(=O)c1cnc(N)o1)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C26H30N4O4/c1-17(29-25(31)24-14-28-26(27)34-24)19-4-8-22(9-5-19)33-23-12-13-30(15-23)20-6-10-21(11-7-20)32-16-18-2-3-18/h4-11,14,17-18,23H,2-3,12-13,15-16H2,1H3,(H2,27,28)(H,29,31)/t17-,23+/m0/s1
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n/an/a 107n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186609
PNG
(US9169205, 1.6)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C23H28N2O3/c1-16(24-17(2)26)18-3-7-20(8-4-18)28-23-13-14-25(15-23)19-5-9-21(10-6-19)27-22-11-12-22/h3-10,16,22-23H,11-15H2,1-2H3,(H,24,26)/t16-,23?/m0/s1
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n/an/a 108n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186667
PNG
(US9169205, 1.64)
Show SMILES C[C@H](NC(=O)N(C)C)c1ccc(OC2CCN(C2)c2ccc(OC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C24H31N3O3/c1-17(25-24(28)26(2)3)18-4-8-20(9-5-18)30-23-14-15-27(16-23)19-6-10-21(11-7-19)29-22-12-13-22/h4-11,17,22-23H,12-16H2,1-3H3,(H,25,28)/t17-,23?/m0/s1
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n/an/a 108n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186648
PNG
(US9169205, 1.45)
Show SMILES CO[C@H]1CN(CC1Oc1ccc(cc1)[C@H](C)NC(C)=O)c1ccc(OCC2CC2)cc1 |r|
Show InChI InChI=1S/C25H32N2O4/c1-17(26-18(2)28)20-6-10-23(11-7-20)31-25-15-27(14-24(25)29-3)21-8-12-22(13-9-21)30-16-19-4-5-19/h6-13,17,19,24-25H,4-5,14-16H2,1-3H3,(H,26,28)/t17-,24-,25?/m0/s1
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n/an/a 108n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM186690
PNG
(US9169205, 1.87)
Show SMILES CCOc1ccc(N2CCC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(C)c1 |r|
Show InChI InChI=1S/C23H30N2O3/c1-5-27-21-10-11-23(16(2)14-21)25-13-12-22(15-25)28-20-8-6-19(7-9-20)17(3)24-18(4)26/h6-11,14,17,22H,5,12-13,15H2,1-4H3,(H,24,26)/t17-,22?/m0/s1
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n/an/a 108n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 200 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%