Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 1 [39-2346]' and Ligand = 'BDBM220142' 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 1 [39-2346]
(Homo sapiens (Human)) | BDBM220142
(US9278925, 1-3)Show SMILES COC[C@@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)OC |r,wU:6.9,3.2,wD:3.32,c:13,(-7.98,.46,;-6.65,-.31,;-5.32,.46,;-3.98,-.31,;-2.65,-1.08,;-1.32,-.31,;-1.32,1.23,;-2.65,2,;-3.98,1.23,;-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,;-3.98,-1.85,;-5.32,-2.62,)| Show InChI InChI=1S/C25H28ClNO4/c1-16-4-5-18(17-6-8-19(26)9-7-17)14-20(16)21-22(28)25(27-23(21)29)12-10-24(31-3,11-13-25)15-30-2/h4-9,14,28H,10-13,15H2,1-3H3,(H,27,29)/t24-,25- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 146 | 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 [39-2346]
(Homo sapiens (Human)) | BDBM220142
(US9278925, 1-3)Show SMILES COC[C@@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)OC |r,wU:6.9,3.2,wD:3.32,c:13,(-7.98,.46,;-6.65,-.31,;-5.32,.46,;-3.98,-.31,;-2.65,-1.08,;-1.32,-.31,;-1.32,1.23,;-2.65,2,;-3.98,1.23,;-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,;-3.98,-1.85,;-5.32,-2.62,)| Show InChI InChI=1S/C25H28ClNO4/c1-16-4-5-18(17-6-8-19(26)9-7-17)14-20(16)21-22(28)25(27-23(21)29)12-10-24(31-3,11-13-25)15-30-2/h4-9,14,28H,10-13,15H2,1-3H3,(H,27,29)/t24-,25- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 165 | 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 | |