Found 6 hits for monomerid = 220141 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)) | 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
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 92 | 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)) | 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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 94 | 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)) | 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
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
(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
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
(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
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 1
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 119 | 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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