Found 73 hits of ic50 data for polymerid = 9252 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 2 [27-2458]
(Homo sapiens (Human)) | BDBM220134
(US9278925, V.2-b)Show SMILES Cc1ccc(cc1C1=C(O)[C@]2(CC[C@@H](CC2)C(F)(F)F)NC1=O)-c1ccc(Cl)c(F)c1 |r,wU:10.21,13.17,c:8,(1.16,4.67,;1.93,3.33,;3.47,3.33,;4.24,2,;3.47,.67,;1.93,.67,;1.16,2,;-.38,2,;-1.29,.75,;-.52,-.58,;-2.75,1.23,;-4.09,2,;-5.42,1.23,;-5.42,-.31,;-4.09,-1.08,;-2.75,-.31,;-6.75,.46,;-8.09,-.31,;-6.75,2,;-8.09,1.23,;-2.75,2.77,;-1.29,3.25,;-.52,4.58,;4.24,-.67,;3.47,-2,;4.24,-3.33,;5.78,-3.33,;6.55,-4.67,;6.55,-2,;8.09,-2,;5.78,-.67,)| Show InChI InChI=1S/C23H20ClF4NO2/c1-12-2-3-13(14-4-5-17(24)18(25)11-14)10-16(12)19-20(30)22(29-21(19)31)8-6-15(7-9-22)23(26,27)28/h2-5,10-11,15,30H,6-9H2,1H3,(H,29,31)/t15-,22+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 580 | 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)) | BDBM220137
(US9278925, V.3-b)Show SMILES COC[C@H]1CC[C@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,3.2,c:13,(-7.98,.46,;-6.65,-.31,;-5.32,.46,;-3.98,-.31,;-3.98,1.23,;-2.65,2,;-1.32,1.23,;-1.32,-.31,;-2.65,-1.08,;-1.32,2.77,;.15,3.25,;.92,4.58,;1.05,2,;.15,.75,;.92,-.58,;2.59,2,;3.36,.67,;4.9,.67,;5.67,2,;4.9,3.33,;3.36,3.33,;2.59,4.67,;5.67,-.67,;4.9,-2,;5.67,-3.33,;7.21,-3.33,;7.98,-4.67,;7.98,-2,;7.21,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-3-4-18(17-5-7-19(25)8-6-17)13-20(15)21-22(27)24(26-23(21)28)11-9-16(10-12-24)14-29-2/h3-8,13,16,27H,9-12,14H2,1-2H3,(H,26,28)/t16-,24+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 591 | 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)) | BDBM220134
(US9278925, V.2-b)Show SMILES Cc1ccc(cc1C1=C(O)[C@]2(CC[C@@H](CC2)C(F)(F)F)NC1=O)-c1ccc(Cl)c(F)c1 |r,wU:10.21,13.17,c:8,(1.16,4.67,;1.93,3.33,;3.47,3.33,;4.24,2,;3.47,.67,;1.93,.67,;1.16,2,;-.38,2,;-1.29,.75,;-.52,-.58,;-2.75,1.23,;-4.09,2,;-5.42,1.23,;-5.42,-.31,;-4.09,-1.08,;-2.75,-.31,;-6.75,.46,;-8.09,-.31,;-6.75,2,;-8.09,1.23,;-2.75,2.77,;-1.29,3.25,;-.52,4.58,;4.24,-.67,;3.47,-2,;4.24,-3.33,;5.78,-3.33,;6.55,-4.67,;6.55,-2,;8.09,-2,;5.78,-.67,)| Show InChI InChI=1S/C23H20ClF4NO2/c1-12-2-3-13(14-4-5-17(24)18(25)11-14)10-16(12)19-20(30)22(29-21(19)31)8-6-15(7-9-22)23(26,27)28/h2-5,10-11,15,30H,6-9H2,1H3,(H,29,31)/t15-,22+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 610 | 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)) | BDBM220131
(US9278925, V.1-b)Show SMILES Cc1ccc(cc1C1=C(O)[C@]2(CC[C@@H](CC2)C(F)(F)F)NC1=O)-c1ccc(Cl)cc1 |r,wU:10.21,13.17,c:8,(1.93,4.67,;2.7,3.33,;4.24,3.33,;5.01,2,;4.24,.67,;2.7,.67,;1.93,2,;.39,2,;-.52,.75,;.25,-.58,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,)| Show InChI InChI=1S/C23H21ClF3NO2/c1-13-2-3-15(14-4-6-17(24)7-5-14)12-18(13)19-20(29)22(28-21(19)30)10-8-16(9-11-22)23(25,26)27/h2-7,12,16,29H,8-11H2,1H3,(H,28,30)/t16-,22+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 940 | 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)) | 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
UniProtKB/SwissProt
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 2 [27-2458]
(Homo sapiens (Human)) | BDBM220139
(US9278925, V.4-b)Show SMILES COC[C@H]1CC[C@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,3.2,c:13,(-8.75,.46,;-7.42,-.31,;-6.09,.46,;-4.75,-.31,;-4.75,1.23,;-3.42,2,;-2.09,1.23,;-2.09,-.31,;-3.42,-1.08,;-2.09,2.77,;-.62,3.25,;.15,4.58,;.28,2,;-.62,.75,;.15,-.58,;1.82,2,;2.59,.67,;4.13,.67,;4.9,2,;4.13,3.33,;2.59,3.33,;1.82,4.67,;4.9,-.67,;4.13,-2,;4.9,-3.33,;6.44,-3.33,;7.21,-4.67,;7.21,-2,;8.75,-2,;6.44,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-3-4-16(17-5-6-19(25)20(26)12-17)11-18(14)21-22(28)24(27-23(21)29)9-7-15(8-10-24)13-30-2/h3-6,11-12,15,28H,7-10,13H2,1-2H3,(H,27,29)/t15-,24+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.12E+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)) | BDBM220131
(US9278925, V.1-b)Show SMILES Cc1ccc(cc1C1=C(O)[C@]2(CC[C@@H](CC2)C(F)(F)F)NC1=O)-c1ccc(Cl)cc1 |r,wU:10.21,13.17,c:8,(1.93,4.67,;2.7,3.33,;4.24,3.33,;5.01,2,;4.24,.67,;2.7,.67,;1.93,2,;.39,2,;-.52,.75,;.25,-.58,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,)| Show InChI InChI=1S/C23H21ClF3NO2/c1-13-2-3-15(14-4-6-17(24)7-5-14)12-18(13)19-20(29)22(28-21(19)30)10-8-16(9-11-22)23(25,26)27/h2-7,12,16,29H,8-11H2,1H3,(H,28,30)/t16-,22+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.22E+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)) | 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
UniProtKB/SwissProt
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 2 [27-2458]
(Homo sapiens (Human)) | BDBM220141
(US9278925, 1-2)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1)C(F)(F)F |r,wU:5.8,2.32,wD:2.1,c:12,(-6.75,-2.62,;-5.42,-1.85,;-5.42,-.31,;-4.09,-1.08,;-2.75,-.31,;-2.75,1.23,;-4.09,2,;-5.42,1.23,;-2.75,2.77,;-1.29,3.25,;-.52,4.58,;-.38,2,;-1.29,.75,;-.52,-.58,;1.16,2,;1.93,.67,;3.47,.67,;4.24,2,;3.47,3.33,;1.93,3.33,;1.16,4.67,;4.24,-.67,;3.47,-2,;4.24,-3.33,;5.78,-3.33,;6.55,-4.67,;6.55,-2,;8.09,-2,;5.78,-.67,;-6.75,.46,;-8.09,-.31,;-6.75,2,;-8.09,1.23,)| Show InChI InChI=1S/C24H22ClF4NO3/c1-13-3-4-14(15-5-6-17(25)18(26)12-15)11-16(13)19-20(31)22(30-21(19)32)7-9-23(33-2,10-8-22)24(27,28)29/h3-6,11-12,31H,7-10H2,1-2H3,(H,30,32)/t22-,23- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.69E+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)) | BDBM220141
(US9278925, 1-2)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1)C(F)(F)F |r,wU:5.8,2.32,wD:2.1,c:12,(-6.75,-2.62,;-5.42,-1.85,;-5.42,-.31,;-4.09,-1.08,;-2.75,-.31,;-2.75,1.23,;-4.09,2,;-5.42,1.23,;-2.75,2.77,;-1.29,3.25,;-.52,4.58,;-.38,2,;-1.29,.75,;-.52,-.58,;1.16,2,;1.93,.67,;3.47,.67,;4.24,2,;3.47,3.33,;1.93,3.33,;1.16,4.67,;4.24,-.67,;3.47,-2,;4.24,-3.33,;5.78,-3.33,;6.55,-4.67,;6.55,-2,;8.09,-2,;5.78,-.67,;-6.75,.46,;-8.09,-.31,;-6.75,2,;-8.09,1.23,)| Show InChI InChI=1S/C24H22ClF4NO3/c1-13-3-4-14(15-5-6-17(25)18(26)12-15)11-16(13)19-20(31)22(30-21(19)32)7-9-23(33-2,10-8-22)24(27,28)29/h3-6,11-12,31H,7-10H2,1-2H3,(H,30,32)/t22-,23- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.01E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.03E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.03E+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)) | BDBM220143
(US9278925, 1-4)Show SMILES COC[C@@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1)OC |r,wU:6.9,3.2,wD:3.33,c:13,(-8.75,.46,;-7.42,-.31,;-6.09,.46,;-4.75,-.31,;-3.42,-1.08,;-2.09,-.31,;-2.09,1.23,;-3.42,2,;-4.75,1.23,;-2.09,2.77,;-.62,3.25,;.15,4.58,;.28,2,;-.62,.75,;.15,-.58,;1.82,2,;2.59,.67,;4.13,.67,;4.9,2,;4.13,3.33,;2.59,3.33,;1.82,4.67,;4.9,-.67,;4.13,-2,;4.9,-3.33,;6.44,-3.33,;7.21,-4.67,;7.21,-2,;8.75,-2,;6.44,-.67,;-4.75,-1.85,;-6.09,-2.62,)| Show InChI InChI=1S/C25H27ClFNO4/c1-15-4-5-16(17-6-7-19(26)20(27)13-17)12-18(15)21-22(29)25(28-23(21)30)10-8-24(32-3,9-11-25)14-31-2/h4-7,12-13,29H,8-11,14H2,1-3H3,(H,28,30)/t24-,25- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.12E+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 | 2.14E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.33E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.33E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.51E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.51E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.53E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.53E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.75E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.75E+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)) | BDBM220141
(US9278925, 1-2)Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1)C(F)(F)F |r,wU:5.8,2.32,wD:2.1,c:12,(-6.75,-2.62,;-5.42,-1.85,;-5.42,-.31,;-4.09,-1.08,;-2.75,-.31,;-2.75,1.23,;-4.09,2,;-5.42,1.23,;-2.75,2.77,;-1.29,3.25,;-.52,4.58,;-.38,2,;-1.29,.75,;-.52,-.58,;1.16,2,;1.93,.67,;3.47,.67,;4.24,2,;3.47,3.33,;1.93,3.33,;1.16,4.67,;4.24,-.67,;3.47,-2,;4.24,-3.33,;5.78,-3.33,;6.55,-4.67,;6.55,-2,;8.09,-2,;5.78,-.67,;-6.75,.46,;-8.09,-.31,;-6.75,2,;-8.09,1.23,)| Show InChI InChI=1S/C24H22ClF4NO3/c1-13-3-4-14(15-5-6-17(25)18(26)12-15)11-16(13)19-20(31)22(30-21(19)32)7-9-23(33-2,10-8-22)24(27,28)29/h3-6,11-12,31H,7-10H2,1-2H3,(H,30,32)/t22-,23- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.76E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.86E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.86E+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
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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
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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)) | BDBM220143
(US9278925, 1-4)Show SMILES COC[C@@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1)OC |r,wU:6.9,3.2,wD:3.33,c:13,(-8.75,.46,;-7.42,-.31,;-6.09,.46,;-4.75,-.31,;-3.42,-1.08,;-2.09,-.31,;-2.09,1.23,;-3.42,2,;-4.75,1.23,;-2.09,2.77,;-.62,3.25,;.15,4.58,;.28,2,;-.62,.75,;.15,-.58,;1.82,2,;2.59,.67,;4.13,.67,;4.9,2,;4.13,3.33,;2.59,3.33,;1.82,4.67,;4.9,-.67,;4.13,-2,;4.9,-3.33,;6.44,-3.33,;7.21,-4.67,;7.21,-2,;8.75,-2,;6.44,-.67,;-4.75,-1.85,;-6.09,-2.62,)| Show InChI InChI=1S/C25H27ClFNO4/c1-15-4-5-16(17-6-7-19(26)20(27)13-17)12-18(15)21-22(29)25(28-23(21)30)10-8-24(32-3,9-11-25)14-31-2/h4-7,12-13,29H,8-11,14H2,1-3H3,(H,28,30)/t24-,25- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.05E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.13E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.13E+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)) | BDBM220143
(US9278925, 1-4)Show SMILES COC[C@@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1)OC |r,wU:6.9,3.2,wD:3.33,c:13,(-8.75,.46,;-7.42,-.31,;-6.09,.46,;-4.75,-.31,;-3.42,-1.08,;-2.09,-.31,;-2.09,1.23,;-3.42,2,;-4.75,1.23,;-2.09,2.77,;-.62,3.25,;.15,4.58,;.28,2,;-.62,.75,;.15,-.58,;1.82,2,;2.59,.67,;4.13,.67,;4.9,2,;4.13,3.33,;2.59,3.33,;1.82,4.67,;4.9,-.67,;4.13,-2,;4.9,-3.33,;6.44,-3.33,;7.21,-4.67,;7.21,-2,;8.75,-2,;6.44,-.67,;-4.75,-1.85,;-6.09,-2.62,)| Show InChI InChI=1S/C25H27ClFNO4/c1-15-4-5-16(17-6-7-19(26)20(27)13-17)12-18(15)21-22(29)25(28-23(21)30)10-8-24(32-3,9-11-25)14-31-2/h4-7,12-13,29H,8-11,14H2,1-3H3,(H,28,30)/t24-,25- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.30E+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)) | 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
UniProtKB/SwissProt
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 [27-2458]
(Homo sapiens (Human)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.32E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.32E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.36E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.36E+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)) | 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
UniProtKB/SwissProt
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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 [27-2458]
(Homo sapiens (Human)) | BDBM220143
(US9278925, 1-4)Show SMILES COC[C@@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1)OC |r,wU:6.9,3.2,wD:3.33,c:13,(-8.75,.46,;-7.42,-.31,;-6.09,.46,;-4.75,-.31,;-3.42,-1.08,;-2.09,-.31,;-2.09,1.23,;-3.42,2,;-4.75,1.23,;-2.09,2.77,;-.62,3.25,;.15,4.58,;.28,2,;-.62,.75,;.15,-.58,;1.82,2,;2.59,.67,;4.13,.67,;4.9,2,;4.13,3.33,;2.59,3.33,;1.82,4.67,;4.9,-.67,;4.13,-2,;4.9,-3.33,;6.44,-3.33,;7.21,-4.67,;7.21,-2,;8.75,-2,;6.44,-.67,;-4.75,-1.85,;-6.09,-2.62,)| Show InChI InChI=1S/C25H27ClFNO4/c1-15-4-5-16(17-6-7-19(26)20(27)13-17)12-18(15)21-22(29)25(28-23(21)30)10-8-24(32-3,9-11-25)14-31-2/h4-7,12-13,29H,8-11,14H2,1-3H3,(H,28,30)/t24-,25- | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.82E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.93E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.93E+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)) | BDBM220143
(US9278925, 1-4)Show SMILES COC[C@@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1)OC |r,wU:6.9,3.2,wD:3.33,c:13,(-8.75,.46,;-7.42,-.31,;-6.09,.46,;-4.75,-.31,;-3.42,-1.08,;-2.09,-.31,;-2.09,1.23,;-3.42,2,;-4.75,1.23,;-2.09,2.77,;-.62,3.25,;.15,4.58,;.28,2,;-.62,.75,;.15,-.58,;1.82,2,;2.59,.67,;4.13,.67,;4.9,2,;4.13,3.33,;2.59,3.33,;1.82,4.67,;4.9,-.67,;4.13,-2,;4.9,-3.33,;6.44,-3.33,;7.21,-4.67,;7.21,-2,;8.75,-2,;6.44,-.67,;-4.75,-1.85,;-6.09,-2.62,)| Show InChI InChI=1S/C25H27ClFNO4/c1-15-4-5-16(17-6-7-19(26)20(27)13-17)12-18(15)21-22(29)25(28-23(21)30)10-8-24(32-3,9-11-25)14-31-2/h4-7,12-13,29H,8-11,14H2,1-3H3,(H,28,30)/t24-,25- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.06E+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)) | 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
UniProtKB/SwissProt
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 [27-2458]
(Homo sapiens (Human)) | BDBM220143
(US9278925, 1-4)Show SMILES COC[C@@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1)OC |r,wU:6.9,3.2,wD:3.33,c:13,(-8.75,.46,;-7.42,-.31,;-6.09,.46,;-4.75,-.31,;-3.42,-1.08,;-2.09,-.31,;-2.09,1.23,;-3.42,2,;-4.75,1.23,;-2.09,2.77,;-.62,3.25,;.15,4.58,;.28,2,;-.62,.75,;.15,-.58,;1.82,2,;2.59,.67,;4.13,.67,;4.9,2,;4.13,3.33,;2.59,3.33,;1.82,4.67,;4.9,-.67,;4.13,-2,;4.9,-3.33,;6.44,-3.33,;7.21,-4.67,;7.21,-2,;8.75,-2,;6.44,-.67,;-4.75,-1.85,;-6.09,-2.62,)| Show InChI InChI=1S/C25H27ClFNO4/c1-15-4-5-16(17-6-7-19(26)20(27)13-17)12-18(15)21-22(29)25(28-23(21)30)10-8-24(32-3,9-11-25)14-31-2/h4-7,12-13,29H,8-11,14H2,1-3H3,(H,28,30)/t24-,25- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.35E+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)) | 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
UniProtKB/SwissProt
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 [27-2458]
(Homo sapiens (Human)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.54E+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)) | BDBM220130
(US9278925, V.1-a | US9278925, V.3-a)Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.54E+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 | |
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