Found 20 hits for monomerid = 220140 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Acetyl-CoA carboxylase 1
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 231 | 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
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.57E+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 1
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 44 | 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 1
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 67 | 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 1
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 87 | 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 1
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 78 | 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 1
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 162 | 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 1
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 186 | 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 1
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 99 | 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 1
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 69 | 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
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.15E+4 | 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
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.35E+4 | 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
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3.31E+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
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4.15E+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
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6.46E+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
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 7.42E+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
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3.39E+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
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4.50E+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
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 980 | 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 1
(Homo sapiens (Human)) | BDBM220140
(US9278925, 1-1)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23- | PDB
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 244 | 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 | |