Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2 [27-2458]' and Ligand = 'BDBM220134' 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)) | 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)) | 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 | |