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Compile Data Set for Download or QSAR

Found 2807 hits of ic50 data for polymerid = 191,193,5471,5591   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50314930
PNG
(1-(2-(1-methyl-1H-pyrazol-3-yl)-1H-benzo[d]imidazo...)
Show SMILES Cn1ccc(n1)-c1nc2ccc(cc2[nH]1)C(=O)N1CCC2(CC1)CC(=O)c1cc(ncc1O2)-c1cnn(C)c1
Show InChI InChI=1S/C28H26N8O3/c1-34-8-5-21(33-34)26-31-20-4-3-17(11-23(20)32-26)27(38)36-9-6-28(7-10-36)13-24(37)19-12-22(29-15-25(19)39-28)18-14-30-35(2)16-18/h3-5,8,11-12,14-16H,6-7,9-10,13H2,1-2H3,(H,31,32)
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n/an/a 0.210n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50314931
PNG
(1-(7-methyl-1H-indazole-5-carbonyl)-6'-(1-methyl-1...)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ncc1O2)-c1cnn(C)c1
Show InChI InChI=1S/C25H24N6O3/c1-15-7-16(8-17-11-27-29-23(15)17)24(33)31-5-3-25(4-6-31)10-21(32)19-9-20(26-13-22(19)34-25)18-12-28-30(2)14-18/h7-9,11-14H,3-6,10H2,1-2H3,(H,27,29)
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50314932
PNG
(6'-methoxy-1-(7-methyl-1H-indazole-5-carbonyl)spir...)
Show SMILES COc1cc2C(=O)CC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)Oc2cn1
Show InChI InChI=1S/C22H22N4O4/c1-13-7-14(8-15-11-24-25-20(13)15)21(28)26-5-3-22(4-6-26)10-17(27)16-9-19(29-2)23-12-18(16)30-22/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25)
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n/an/a 0.310n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152913
PNG
(US8993586, 109)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccc(NC5CCC5)nc4c3)NC(=O)c2n1
Show InChI InChI=1S/C28H34N6O2/c1-27(2,3)34-17-20-16-28(31-25(35)24(20)32-34)11-13-33(14-12-28)26(36)19-8-7-18-9-10-23(30-22(18)15-19)29-21-5-4-6-21/h7-10,15,17,21H,4-6,11-14,16H2,1-3H3,(H,29,30)(H,31,35)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439646
PNG
(CHEMBL2419600 | US8993586, 110)
Show SMILES CCCNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C27H34N6O2/c1-5-12-28-22-9-8-18-6-7-19(15-21(18)29-22)25(35)32-13-10-27(11-14-32)16-20-17-33(26(2,3)4)31-23(20)24(34)30-27/h6-9,15,17H,5,10-14,16H2,1-4H3,(H,28,29)(H,30,34)
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50426521
PNG
(CHEMBL2323626)
Show SMILES CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)C2)C(C)(C)C
Show InChI InChI=1S/C26H31N5O2/c1-25(2,3)31-16-19-14-26(15-21(32)23(19)29-31)9-11-30(12-10-26)24(33)18-6-5-17-7-8-22(27-4)28-20(17)13-18/h5-8,13,16H,9-12,14-15H2,1-4H3,(H,27,28)
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ACC2


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439642
PNG
(CHEMBL2419589 | US8993586, 105)
Show SMILES CN(C)c1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H32N6O2/c1-25(2,3)32-16-19-15-26(28-23(33)22(19)29-32)10-12-31(13-11-26)24(34)18-7-6-17-8-9-21(30(4)5)27-20(17)14-18/h6-9,14,16H,10-13,15H2,1-5H3,(H,28,33)
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152927
PNG
(US8993586, 125)
Show SMILES CC(F)(F)CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C27H32F2N6O2/c1-25(2,3)35-15-19-14-27(32-23(36)22(19)33-35)9-11-34(12-10-27)24(37)18-6-5-17-7-8-21(31-20(17)13-18)30-16-26(4,28)29/h5-8,13,15H,9-12,14,16H2,1-4H3,(H,30,31)(H,32,36)
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439646
PNG
(CHEMBL2419600 | US8993586, 110)
Show SMILES CCCNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C27H34N6O2/c1-5-12-28-22-9-8-18-6-7-19(15-21(18)29-22)25(35)32-13-10-27(11-14-32)16-20-17-33(26(2,3)4)31-23(20)24(34)30-27/h6-9,15,17H,5,10-14,16H2,1-4H3,(H,28,29)(H,30,34)
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439643
PNG
(CHEMBL2419598 | US8993586, 76)
Show SMILES CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H30N6O2/c1-24(2,3)31-15-18-14-25(28-22(32)21(18)29-31)9-11-30(12-10-25)23(33)17-6-5-16-7-8-20(26-4)27-19(16)13-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,26,27)(H,28,32)
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50069756
PNG
(CHEMBL3407547)
Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/s2
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n/an/a 1.70n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant His-tagged ACC2 assessed as malonyl-CoA level


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152926
PNG
(US8993586, 124)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccc(NCC(F)(F)F)nc4c3)NC(=O)c2n1
Show InChI InChI=1S/C26H29F3N6O2/c1-24(2,3)35-14-18-13-25(32-22(36)21(18)33-35)8-10-34(11-9-25)23(37)17-5-4-16-6-7-20(31-19(16)12-17)30-15-26(27,28)29/h4-7,12,14H,8-11,13,15H2,1-3H3,(H,30,31)(H,32,36)
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n/an/a 1.72n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152915
PNG
(US8993586, 112)
Show SMILES CCNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H32N6O2/c1-5-27-21-9-8-17-6-7-18(14-20(17)28-21)24(34)31-12-10-26(11-13-31)15-19-16-32(25(2,3)4)30-22(19)23(33)29-26/h6-9,14,16H,5,10-13,15H2,1-4H3,(H,27,28)(H,29,33)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152877
PNG
(US8993586, 56)
Show SMILES COc1ccc(C)c2[nH]c(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H31N5O3/c1-15-6-7-19(33-5)17-12-18(26-20(15)17)23(32)29-10-8-25(9-11-29)13-16-14-30(24(2,3)4)28-21(16)22(31)27-25/h6-7,12,14,26H,8-11,13H2,1-5H3,(H,27,31)
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152900
PNG
(US8993586, 87)
Show SMILES COc1cc(cc2c(C)n[nH]c12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C24H30N6O3/c1-14-17-10-15(11-18(33-5)20(17)27-26-14)22(32)29-8-6-24(7-9-29)12-16-13-30(23(2,3)4)28-19(16)21(31)25-24/h10-11,13H,6-9,12H2,1-5H3,(H,25,31)(H,26,27)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152882
PNG
(US8993586, 62)
Show SMILES Cc1cc(cc2c(Cl)n[nH]c12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C23H27ClN6O2/c1-13-9-14(10-16-17(13)26-27-19(16)24)21(32)29-7-5-23(6-8-29)11-15-12-30(22(2,3)4)28-18(15)20(31)25-23/h9-10,12H,5-8,11H2,1-4H3,(H,25,31)(H,26,27)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152867
PNG
(US8993586, 45)
Show SMILES CC1=NNC2C1C=C(C=C2C)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1/C24H32N6O2/c1-14-10-16(11-18-15(2)26-27-19(14)18)22(32)29-8-6-24(7-9-29)12-17-13-30(23(3,4)5)28-20(17)21(31)25-24/h10-11,13,18-19,27H,6-9,12H2,1-5H3,(H,25,31)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50426523
PNG
(CHEMBL2323628)
Show SMILES COc1ccc2ncc(cc2c1)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2
Show InChI InChI=1S/C25H28N4O3/c1-16(2)29-23-19(15-27-29)12-25(13-22(23)30)6-8-28(9-7-25)24(31)18-10-17-11-20(32-3)4-5-21(17)26-14-18/h4-5,10-11,14-16H,6-9,12-13H2,1-3H3
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TBA

Assay Description
Inhibition of human recombinant ACC2


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152911
PNG
(US8993586, 107)
Show SMILES CC(C)Nc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C27H34N6O2/c1-17(2)28-22-9-8-18-6-7-19(14-21(18)29-22)25(35)32-12-10-27(11-13-32)15-20-16-33(26(3,4)5)31-23(20)24(34)30-27/h6-9,14,16-17H,10-13,15H2,1-5H3,(H,28,29)(H,30,34)
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n/an/a 2.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439642
PNG
(CHEMBL2419589 | US8993586, 105)
Show SMILES CN(C)c1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H32N6O2/c1-25(2,3)32-16-19-15-26(28-23(33)22(19)29-32)10-12-31(13-11-26)24(34)18-7-6-17-8-9-21(30(4)5)27-20(17)14-18/h6-9,14,16H,10-13,15H2,1-5H3,(H,28,33)
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n/an/a 2.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152885
PNG
(US8993586, 66)
Show SMILES COc1cc(cc2[nH]ncc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C23H28N6O3/c1-22(2,3)29-13-15-11-23(25-20(30)19(15)27-29)5-7-28(8-6-23)21(31)14-9-17-16(12-24-26-17)18(10-14)32-4/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,26)(H,25,30)
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152912
PNG
(US8993586, 108)
Show SMILES CCN(C)c1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C27H34N6O2/c1-6-31(5)22-10-9-18-7-8-19(15-21(18)28-22)25(35)32-13-11-27(12-14-32)16-20-17-33(26(2,3)4)30-23(20)24(34)29-27/h7-10,15,17H,6,11-14,16H2,1-5H3,(H,29,34)
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152889
PNG
(US8993586, 70)
Show SMILES COc1cccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H30N4O3/c1-25(2,3)30-16-19-15-26(27-23(31)22(19)28-30)10-12-29(13-11-26)24(32)18-9-8-17-6-5-7-21(33-4)20(17)14-18/h5-9,14,16H,10-13,15H2,1-4H3,(H,27,31)
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152922
PNG
(US8993586, 119)
Show SMILES CCCNc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C27H34N6O2/c1-5-11-28-23-21-15-19(7-6-18(21)8-12-29-23)25(35)32-13-9-27(10-14-32)16-20-17-33(26(2,3)4)31-22(20)24(34)30-27/h6-8,12,15,17H,5,9-11,13-14,16H2,1-4H3,(H,28,29)(H,30,34)
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152910
PNG
(US8993586, 106)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccc(NC5CC5)nc4c3)NC(=O)c2n1
Show InChI InChI=1S/C27H32N6O2/c1-26(2,3)33-16-19-15-27(30-24(34)23(19)31-33)10-12-32(13-11-27)25(35)18-5-4-17-6-9-22(28-20-7-8-20)29-21(17)14-18/h4-6,9,14,16,20H,7-8,10-13,15H2,1-3H3,(H,28,29)(H,30,34)
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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439641
PNG
(CHEMBL2419597 | US8993586, 55)
Show SMILES COc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-14-25(27-21(31)20(18)28-30)8-11-29(12-9-25)23(32)17-6-5-16-7-10-26-22(33-4)19(16)13-17/h5-7,10,13,15H,8-9,11-12,14H2,1-4H3,(H,27,31)
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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152924
PNG
(US8993586, 121)
Show SMILES CCNc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H32N6O2/c1-5-27-22-20-14-18(7-6-17(20)8-11-28-22)24(34)31-12-9-26(10-13-31)15-19-16-32(25(2,3)4)30-21(19)23(33)29-26/h6-8,11,14,16H,5,9-10,12-13,15H2,1-4H3,(H,27,28)(H,29,33)
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n/an/a 2.70n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152921
PNG
(US8993586, 118)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccnc(NC5CCC5)c4c3)NC(=O)c2n1
Show InChI InChI=1S/C28H34N6O2/c1-27(2,3)34-17-20-16-28(31-25(35)23(20)32-34)10-13-33(14-11-28)26(36)19-8-7-18-9-12-29-24(22(18)15-19)30-21-5-4-6-21/h7-9,12,15,17,21H,4-6,10-11,13-14,16H2,1-3H3,(H,29,30)(H,31,35)
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n/an/a 2.70n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152869
PNG
(US8993586, 47)
Show SMILES CC1=NNC2C1C=C(C=C2C)C(=O)N1CCC2(CC1)Cc1cn(CC(C)(C)O)nc1C(=O)N2
Show InChI InChI=1/C24H32N6O3/c1-14-9-16(10-18-15(2)26-27-19(14)18)22(32)29-7-5-24(6-8-29)11-17-12-30(13-23(3,4)33)28-20(17)21(31)25-24/h9-10,12,18-19,27,33H,5-8,11,13H2,1-4H3,(H,25,31)
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n/an/a 2.70n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50426524
PNG
(CHEMBL2323629)
Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]c(cc4c3)C(N)=O)CC(=O)c12
Show InChI InChI=1S/C24H27N5O3/c1-14(2)29-21-17(13-26-29)11-24(12-20(21)30)5-7-28(8-6-24)23(32)15-3-4-18-16(9-15)10-19(27-18)22(25)31/h3-4,9-10,13-14,27H,5-8,11-12H2,1-2H3,(H2,25,31)
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ACC2


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152918
PNG
(US8993586, 115)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccnc(NC5CC5)c4c3)NC(=O)c2n1
Show InChI InChI=1S/C27H32N6O2/c1-26(2,3)33-16-19-15-27(30-24(34)22(19)31-33)9-12-32(13-10-27)25(35)18-5-4-17-8-11-28-23(21(17)14-18)29-20-6-7-20/h4-5,8,11,14,16,20H,6-7,9-10,12-13,15H2,1-3H3,(H,28,29)(H,30,34)
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439644
PNG
(CHEMBL2419593 | US8993586, 86)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4c(Cl)c[nH]c4c3)NC(=O)c2n1
Show InChI InChI=1S/C23H26ClN5O2/c1-22(2,3)29-13-15-11-23(26-20(30)19(15)27-29)6-8-28(9-7-23)21(31)14-4-5-16-17(24)12-25-18(16)10-14/h4-5,10,12-13,25H,6-9,11H2,1-3H3,(H,26,30)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50205246
PNG
((S)-(-)-N-(1-(3-(2-(4-isopropoxyphenoxy)thiazol-5-...)
Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)-c2cc(on2)[C@H](C)NC(C)=O)cc1
Show InChI InChI=1S/C19H21N3O4S/c1-11(2)24-14-5-7-15(8-6-14)25-19-20-10-18(27-19)16-9-17(26-22-16)12(3)21-13(4)23/h5-12H,1-4H3,(H,21,23)/t12-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in SF9 cells


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152892
PNG
(US8993586, 74)
Show SMILES COc1cccc2ncc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-17-13-25(27-22(31)21(17)28-30)8-10-29(11-9-25)23(32)16-12-18-19(26-14-16)6-5-7-20(18)33-4/h5-7,12,14-15H,8-11,13H2,1-4H3,(H,27,31)
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152914
PNG
(US8993586, 111)
Show SMILES COCCNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C27H34N6O3/c1-26(2,3)33-17-20-16-27(30-24(34)23(20)31-33)9-12-32(13-10-27)25(35)19-6-5-18-7-8-22(28-11-14-36-4)29-21(18)15-19/h5-8,15,17H,9-14,16H2,1-4H3,(H,28,29)(H,30,34)
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152871
PNG
(US8993586, 49)
Show SMILES COc1ccc2ccc(cc2c1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H30N4O3/c1-25(2,3)30-16-20-15-26(27-23(31)22(20)28-30)9-11-29(12-10-26)24(32)18-6-5-17-7-8-21(33-4)14-19(17)13-18/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,31)
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n/an/a 3.80n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50195026
PNG
(CHEMBL223100 | N-(4-(2-(4-propoxyphenoxy)thiazol-5...)
Show SMILES CCCOc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C18H20N2O3S/c1-4-11-22-15-6-8-16(9-7-15)23-18-19-12-17(24-18)10-5-13(2)20-14(3)21/h6-9,12-13H,4,11H2,1-3H3,(H,20,21)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50195026
PNG
(CHEMBL223100 | N-(4-(2-(4-propoxyphenoxy)thiazol-5...)
Show SMILES CCCOc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C18H20N2O3S/c1-4-11-22-15-6-8-16(9-7-15)23-18-19-12-17(24-18)10-5-13(2)20-14(3)21/h6-9,12-13H,4,11H2,1-3H3,(H,20,21)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439634
PNG
(CHEMBL2419596 | US8993586, 71)
Show SMILES COc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-14-25(27-22(31)21(18)28-30)9-11-29(12-10-25)23(32)17-6-5-16-7-8-20(33-4)26-19(16)13-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,27,31)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439639
PNG
(CHEMBL2419591 | US8993586, 64)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]nc(Cl)c4c3)NC(=O)c2n1
Show InChI InChI=1S/C22H25ClN6O2/c1-21(2,3)29-12-14-11-22(24-19(30)17(14)27-29)6-8-28(9-7-22)20(31)13-4-5-16-15(10-13)18(23)26-25-16/h4-5,10,12H,6-9,11H2,1-3H3,(H,24,30)(H,25,26)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439644
PNG
(CHEMBL2419593 | US8993586, 86)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4c(Cl)c[nH]c4c3)NC(=O)c2n1
Show InChI InChI=1S/C23H26ClN5O2/c1-22(2,3)29-13-15-11-23(26-20(30)19(15)27-29)6-8-28(9-7-23)21(31)14-4-5-16-17(24)12-25-18(16)10-14/h4-5,10,12-13,25H,6-9,11H2,1-3H3,(H,26,30)
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n/an/a 4.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439635
PNG
(CHEMBL2419594 | US8993586, 88)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3cnc4c(Cl)c[nH]c4c3)NC(=O)c2n1
Show InChI InChI=1S/C22H25ClN6O2/c1-21(2,3)29-12-14-9-22(26-19(30)17(14)27-29)4-6-28(7-5-22)20(31)13-8-16-18(25-10-13)15(23)11-24-16/h8,10-12,24H,4-7,9H2,1-3H3,(H,26,30)
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n/an/a 4.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439643
PNG
(CHEMBL2419598 | US8993586, 76)
Show SMILES CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H30N6O2/c1-24(2,3)31-15-18-14-25(28-22(32)21(18)29-31)9-11-30(12-10-25)23(33)17-6-5-16-7-8-20(26-4)27-19(16)13-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,26,27)(H,28,32)
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n/an/a 4.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439641
PNG
(CHEMBL2419597 | US8993586, 55)
Show SMILES COc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-14-25(27-21(31)20(18)28-30)8-11-29(12-9-25)23(32)17-6-5-16-7-10-26-22(33-4)19(16)13-17/h5-7,10,13,15H,8-9,11-12,14H2,1-4H3,(H,27,31)
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n/an/a 4.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50383761
PNG
(CHEMBL2030573)
Show SMILES CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1
Show InChI InChI=1S/C26H35N5O4S/c1-16-6-7-18-19(21(29-24(34)27-4)36-20(18)28-16)22(32)30-12-8-17(9-13-30)31-11-5-10-26(15-31)14-25(2,3)35-23(26)33/h6-7,17H,5,8-15H2,1-4H3,(H2,27,29,34)/t26-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152873
PNG
(US8993586, 51)
Show SMILES COc1cccc2c(OC)cc(nc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H31N5O4/c1-25(2,3)31-15-16-14-26(28-23(32)21(16)29-31)9-11-30(12-10-26)24(33)18-13-20(35-5)17-7-6-8-19(34-4)22(17)27-18/h6-8,13,15H,9-12,14H2,1-5H3,(H,28,32)
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n/an/a 4.40n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50314938
PNG
(5'-isopropoxy-1-(7-methyl-1H-indazole-5-carbonyl)s...)
Show SMILES CC(C)Oc1nccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
Show InChI InChI=1S/C24H26N4O4/c1-14(2)31-22-20-18(29)12-24(32-19(20)4-7-25-22)5-8-28(9-6-24)23(30)16-10-15(3)21-17(11-16)13-26-27-21/h4,7,10-11,13-14H,5-6,8-9,12H2,1-3H3,(H,26,27)
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n/an/a 4.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50314905
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol...)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1cc[nH]n1
Show InChI InChI=1S/C25H23N5O3/c1-15-10-17(11-18-14-27-29-23(15)18)24(32)30-8-5-25(6-9-30)13-21(31)19-12-16(2-3-22(19)33-25)20-4-7-26-28-20/h2-4,7,10-12,14H,5-6,8-9,13H2,1H3,(H,26,28)(H,27,29)
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n/an/a 4.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439645
PNG
(CHEMBL2419607)
Show SMILES CCC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)NC(=O)c2n1
Show InChI InChI=1S/C25H32N6O2/c1-6-24(4,5)31-14-18-13-25(26-22(32)21(18)29-31)7-9-30(10-8-25)23(33)17-11-15(2)20-19(12-17)16(3)27-28-20/h11-12,14H,6-10,13H2,1-5H3,(H,26,32)(H,27,28)
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n/an/a 4.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152919
PNG
(US8993586, 116)
Show SMILES CC(C)Nc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C27H34N6O2/c1-17(2)29-23-21-14-19(7-6-18(21)8-11-28-23)25(35)32-12-9-27(10-13-32)15-20-16-33(26(3,4)5)31-22(20)24(34)30-27/h6-8,11,14,16-17H,9-10,12-13,15H2,1-5H3,(H,28,29)(H,30,34)
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n/an/a 4.70n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)

More data for this
Ligand-Target Pair
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