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142 similar compounds to monomer 148888

Compile data set for download or QSAR
Wt: 409.5
BDBM148647
Wt: 395.4
BDBM148649
Wt: 397.5
BDBM148650
Wt: 427.5
BDBM148652
Wt: 427.5
BDBM148653
Wt: 419.4
BDBM148545
Wt: 427.5
BDBM148713
Wt: 427.5
BDBM148654
Wt: 413.4
BDBM148656
Wt: 415.5
BDBM148657
Wt: 441.5
BDBM148655
Wt: 409.5
BDBM148662
Wt: 427.5
BDBM148749
Wt: 425.5
BDBM148857
Wt: 473.5
BDBM148858
Displayed 1 to 15 (of 142 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 148647,148649,148650,148652,148653,148545,148713,148654,148656,148657,148655,148662,148749,148857,148858   
Target/Host
(Institution)
LigandTarget/Host
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))
BDBM148545
PNG
(US8962641, 5.1)
Show SMILES CCN(C)c1nccc(n1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)C(F)F
Show InChI InChI=1/C21H27F2N5O2/c1-4-27(3)21-24-11-9-18(26-21)28-12-10-17(13-28)30-16-7-5-15(6-8-16)14(2)25-20(29)19(22)23/h5-9,11,14,17,19H,4,10,12-13H2,1-3H3,(H,25,29)/t14-,17?/s2
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n/an/a 59n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148858
PNG
(US8962641, 8.215)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)CCOC(C)(C)C)cc1
Show InChI InChI=1/C25H36FN5O3/c1-17(28-18(2)32)19-7-9-20(10-8-19)34-21-11-12-31(16-21)23-22(26)15-27-24(29-23)30(6)13-14-33-25(3,4)5/h7-10,15,17,21H,11-14,16H2,1-6H3,(H,28,32)/t17-,21+/s2
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n/an/a 719n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148649
PNG
(US8962641, 8.5)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(n2)N2CCCC2)cc1
Show InChI InChI=1/C22H29N5O2/c1-16(24-17(2)28)18-5-7-19(8-6-18)29-20-10-14-27(15-20)21-9-11-23-22(25-21)26-12-3-4-13-26/h5-9,11,16,20H,3-4,10,12-15H2,1-2H3,(H,24,28)/t16-,20+/s2
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n/an/a 403n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148650
PNG
(US8962641, 8.6)
Show SMILES CCCN(C)c1nccc(n1)N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O
Show InChI InChI=1/C22H31N5O2/c1-5-13-26(4)22-23-12-10-21(25-22)27-14-11-20(15-27)29-19-8-6-18(7-9-19)16(2)24-17(3)28/h6-10,12,16,20H,5,11,13-15H2,1-4H3,(H,24,28)/t16-,20+/s2
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n/an/a 102n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148652
PNG
(US8962641, 8.8)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N2CCCCC2)cc1
Show InChI InChI=1/C23H30FN5O2/c1-16(26-17(2)30)18-6-8-19(9-7-18)31-20-10-13-29(15-20)22-21(24)14-25-23(27-22)28-11-4-3-5-12-28/h6-9,14,16,20H,3-5,10-13,15H2,1-2H3,(H,26,30)/t16-,20+/s2
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n/an/a 45n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148653
PNG
(US8962641, 8.9)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)CC2CC2)cc1
Show InChI InChI=1/C23H30FN5O2/c1-15(26-16(2)30)18-6-8-19(9-7-18)31-20-10-11-29(14-20)22-21(24)12-25-23(27-22)28(3)13-17-4-5-17/h6-9,12,15,17,20H,4-5,10-11,13-14H2,1-3H3,(H,26,30)/t15-,20+/s2
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n/an/a 33n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148654
PNG
(US8962641, 8.10)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(NC3CCCC3)ncc2F)cc1
Show InChI InChI=1/C23H30FN5O2/c1-15(26-16(2)30)17-7-9-19(10-8-17)31-20-11-12-29(14-20)22-21(24)13-25-23(28-22)27-18-5-3-4-6-18/h7-10,13,15,18,20H,3-6,11-12,14H2,1-2H3,(H,26,30)(H,25,27,28)/t15-,20+/s2
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n/an/a 190n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148655
PNG
(US8962641, 8.11)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C2CCCC2)cc1
Show InChI InChI=1/C24H32FN5O2/c1-16(27-17(2)31)18-8-10-20(11-9-18)32-21-12-13-30(15-21)23-22(25)14-26-24(28-23)29(3)19-6-4-5-7-19/h8-11,14,16,19,21H,4-7,12-13,15H2,1-3H3,(H,27,31)/t16-,21+/s2
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n/an/a 58n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148656
PNG
(US8962641, 8.12)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N2CCCC2)cc1
Show InChI InChI=1/C22H28FN5O2/c1-15(25-16(2)29)17-5-7-18(8-6-17)30-19-9-12-28(14-19)21-20(23)13-24-22(26-21)27-10-3-4-11-27/h5-8,13,15,19H,3-4,9-12,14H2,1-2H3,(H,25,29)/t15-,19+/s2
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n/an/a 67n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148657
PNG
(US8962641, 8.13)
Show SMILES CCCN(C)c1ncc(F)c(n1)N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O
Show InChI InChI=1/C22H30FN5O2/c1-5-11-27(4)22-24-13-20(23)21(26-22)28-12-10-19(14-28)30-18-8-6-17(7-9-18)15(2)25-16(3)29/h6-9,13,15,19H,5,10-12,14H2,1-4H3,(H,25,29)/t15-,19+/s2
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n/an/a 30n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148662
PNG
(US8962641, 8.18)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(n2)N2CCCCC2)cc1
Show InChI InChI=1/C23H31N5O2/c1-17(25-18(2)29)19-6-8-20(9-7-19)30-21-11-15-28(16-21)22-10-12-24-23(26-22)27-13-4-3-5-14-27/h6-10,12,17,21H,3-5,11,13-16H2,1-2H3,(H,25,29)/t17-,21+/s2
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n/an/a 160n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148713
PNG
(US8962641, 8.70 | US8962641, 8.82)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N2CCC(C)C2)cc1
Show InChI InChI=1/C23H30FN5O2/c1-15-8-10-29(13-15)23-25-12-21(24)22(27-23)28-11-9-20(14-28)31-19-6-4-18(5-7-19)16(2)26-17(3)30/h4-7,12,15-16,20H,8-11,13-14H2,1-3H3,(H,26,30)/t15?,16-,20+/s2
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n/an/a 59n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148713
PNG
(US8962641, 8.70 | US8962641, 8.82)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N2CCC(C)C2)cc1
Show InChI InChI=1/C23H30FN5O2/c1-15-8-10-29(13-15)23-25-12-21(24)22(27-23)28-11-9-20(14-28)31-19-6-4-18(5-7-19)16(2)26-17(3)30/h4-7,12,15-16,20H,8-11,13-14H2,1-3H3,(H,26,30)/t15?,16-,20+/s2
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n/an/a 180n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148749
PNG
(US8962641, 8.106)
Show SMILES CCN(CCOC)c1nccc(n1)N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O
Show InChI InChI=1/C23H33N5O3/c1-5-27(14-15-30-4)23-24-12-10-22(26-23)28-13-11-21(16-28)31-20-8-6-19(7-9-20)17(2)25-18(3)29/h6-10,12,17,21H,5,11,13-16H2,1-4H3,(H,25,29)/t17-,21+/s2
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n/an/a 160n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148857
PNG
(US8962641, 8.214)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(n2)N2CCC(C)(O)C2)cc1
Show InChI InChI=1/C23H31N5O3/c1-16(25-17(2)29)18-4-6-19(7-5-18)31-20-9-12-27(14-20)21-8-11-24-22(26-21)28-13-10-23(3,30)15-28/h4-8,11,16,20,30H,9-10,12-15H2,1-3H3,(H,25,29)/t16-,20+,23?/s2
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n/an/a 865n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM148647
PNG
(US8962641, 8.3)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(n2)N(C)CC2CC2)cc1
Show InChI InChI=1/C23H31N5O2/c1-16(25-17(2)29)19-6-8-20(9-7-19)30-21-11-13-28(15-21)22-10-12-24-23(26-22)27(3)14-18-4-5-18/h6-10,12,16,18,21H,4-5,11,13-15H2,1-3H3,(H,25,29)/t16-,21+/s2
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n/an/a 125n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair