Found 20 hits Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2 [27-2458]' and Ligand = 'BDBM220133' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.99E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.99E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.99E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.99E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7.81E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7.81E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 8.63E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 8.63E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 8.81E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 8.81E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9.56E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 [27-2458]
(Homo sapiens (Human)) | BDBM220133
(US9278925, V.2-a | US9278925, V.4-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9.56E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
BAYER INTELLECTUAL PROPERTY GMBH
US Patent
| Assay Description
For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla... |
US Patent US9278925 (2016)
BindingDB Entry DOI: 10.7270/Q2VM4B3K |
More data for this
Ligand-Target Pair | |
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