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8 similar compounds to monomer 102055

Compile data set for download or QSAR
Wt: 354.4
BDBM101999
Wt: 418.4
BDBM102000
Wt: 368.4
BDBM102033
Wt: 354.4
BDBM102046
Wt: 352.4
BDBM102052
Wt: 326.3
BDBM102053
Wt: 352.4
BDBM102057
Wt: 480.3
BDBM102054

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 101999,102000,102033,102046,102052,102053,102057,102054   
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))
BDBM101999
PNG
(US8530460, 3.3)
Show SMILES CCCc1cnc(nc1)N1CC(C1)Oc1ccc(cc1)C(C)NC(C)=O
Show InChI InChI=1/C20H26N4O2/c1-4-5-16-10-21-20(22-11-16)24-12-19(13-24)26-18-8-6-17(7-9-18)14(2)23-15(3)25/h6-11,14,19H,4-5,12-13H2,1-3H3,(H,23,25)
PDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 320n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM102000
PNG
(US8530460, 3.4)
Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1CC(C1)Oc1ccc(cc1)C(C)NC(C)=O
Show InChI InChI=1/C24H26N4O3/c1-16(27-17(2)29)18-4-10-22(11-5-18)31-23-14-28(15-23)24-25-12-20(13-26-24)19-6-8-21(30-3)9-7-19/h4-13,16,23H,14-15H2,1-3H3,(H,27,29)
PDB

B.MOAD
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UniChem

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US Patent
n/an/a 1.47E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM102033
PNG
(US8530460, 4.27)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ncc(cn2)C(C)(C)C)cc1
Show InChI InChI=1/C21H28N4O2/c1-14(24-15(2)26)16-6-8-18(9-7-16)27-19-12-25(13-19)20-22-10-17(11-23-20)21(3,4)5/h6-11,14,19H,12-13H2,1-5H3,(H,24,26)/t14-/s2
PDB

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US Patent
n/an/a 570n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM102054
PNG
(US9695165, 3)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(ncc2c1)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C25H19Cl2N3O3/c1-4-21(31)29-17-7-5-6-15(11-17)25-28-13-16-10-14(8-9-18(16)30-25)22-23(26)19(32-2)12-20(33-3)24(22)27/h4-13H,1H2,2-3H3,(H,29,31)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+3n/an/an/an/a7.525



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 0.5 ng/ul of wild type FGFR-4 (Carna Biosciences, Inc.) was incubated in a total of 12.5 ul of buffer (100 mM HEPES...


US Patent US9695165 (2017)


BindingDB Entry DOI: 10.7270/Q25M67QZ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM102052
PNG
(US8530460, 5.1)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ncc(cn2)C2CC2)cc1
Show InChI InChI=1/C20H24N4O2/c1-13(23-14(2)25)15-5-7-18(8-6-15)26-19-11-24(12-19)20-21-9-17(10-22-20)16-3-4-16/h5-10,13,16,19H,3-4,11-12H2,1-2H3,(H,23,25)/t13-/s2
PDB

B.MOAD
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PC sid
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US Patent
n/an/a 170n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM102053
PNG
(US8530460, 5.2)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ncc(C)cn2)cc1
Show InChI InChI=1/C18H22N4O2/c1-12-8-19-18(20-9-12)22-10-17(11-22)24-16-6-4-15(5-7-16)13(2)21-14(3)23/h4-9,13,17H,10-11H2,1-3H3,(H,21,23)/t13-/s2
PDB

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US Patent
n/an/a 2.18E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM102057
PNG
(US8530460, 6.3)
Show SMILES CC(NC(C)=O)c1ccc(OC2CN(C2)c2ncc(cn2)C2CC2)cc1
Show InChI InChI=1/C20H24N4O2/c1-13(23-14(2)25)15-5-7-18(8-6-15)26-19-11-24(12-19)20-21-9-17(10-22-20)16-3-4-16/h5-10,13,16,19H,3-4,11-12H2,1-2H3,(H,23,25)
PDB

B.MOAD
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PC cid
PC sid
UniChem

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US Patent
n/an/a 150n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM102046
PNG
(US8530460, 4.39)
Show SMILES CCCc1cnc(nc1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(C)=O
Show InChI InChI=1/C20H26N4O2/c1-4-5-16-10-21-20(22-11-16)24-12-19(13-24)26-18-8-6-17(7-9-18)14(2)23-15(3)25/h6-11,14,19H,4-5,12-13H2,1-3H3,(H,23,25)/t14-/s2
PDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 600n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair