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6 similar compounds to monomer 101965

Compile data set for download or QSAR
Wt: 400.4
BDBM101973
Wt: 384.4
BDBM101975
Wt: 398.4
BDBM101985
Wt: 372.4
BDBM101986
Wt: 366.4
BDBM101923
Wt: 368.4
BDBM101933

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 101973,101975,101985,101986,101923,101933   
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))
BDBM101923
PNG
(US8530460, 1.3)
Show SMILES CC(NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OC3CC3)cc2)cc1
Show InChI InChI=1/C22H26N2O3/c1-15(23-16(2)25)17-3-7-19(8-4-17)27-22-13-24(14-22)18-5-9-20(10-6-18)26-21-11-12-21/h3-10,15,21-22H,11-14H2,1-2H3,(H,23,25)
PDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 530n/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))
BDBM101933
PNG
(US8530460, 1.13)
Show SMILES CCCOc1ccc(cc1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(C)=O
Show InChI InChI=1/C22H28N2O3/c1-4-13-26-20-11-7-19(8-12-20)24-14-22(15-24)27-21-9-5-18(6-10-21)16(2)23-17(3)25/h5-12,16,22H,4,13-15H2,1-3H3,(H,23,25)/t16-/s2
PDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 70n/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))
BDBM101986
PNG
(US8530460, 2.3)
Show SMILES CCOc1ccc(N2CC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(F)c1
Show InChI InChI=1/C21H25FN2O3/c1-4-26-18-9-10-21(20(22)11-18)24-12-19(13-24)27-17-7-5-16(6-8-17)14(2)23-15(3)25/h5-11,14,19H,4,12-13H2,1-3H3,(H,23,25)/t14-/s2
PDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 240n/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))
BDBM101975
PNG
(US8530460, 1.55)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OC3CC3)cc2F)cc1
Show InChI InChI=1/C22H25FN2O3/c1-14(24-15(2)26)16-3-5-17(6-4-16)28-20-12-25(13-20)22-10-9-19(11-21(22)23)27-18-7-8-18/h3-6,9-11,14,18,20H,7-8,12-13H2,1-2H3,(H,24,26)/t14-/s2
PDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 110n/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))
BDBM101985
PNG
(US8530460, 2.2)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OCC3CC3)cc2F)cc1
Show InChI InChI=1/C23H27FN2O3/c1-15(25-16(2)27)18-5-7-19(8-6-18)29-21-12-26(13-21)23-10-9-20(11-22(23)24)28-14-17-3-4-17/h5-11,15,17,21H,3-4,12-14H2,1-2H3,(H,25,27)/t15-/s2
PDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 60n/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))
BDBM101973
PNG
(US8530460, 1.53)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2cc3OCCCOc3cc2F)cc1
Show InChI InChI=1/C22H25FN2O4/c1-14(24-15(2)26)16-4-6-17(7-5-16)29-18-12-25(13-18)20-11-22-21(10-19(20)23)27-8-3-9-28-22/h4-7,10-11,14,18H,3,8-9,12-13H2,1-2H3,(H,24,26)/t14-/s2
PDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 760n/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