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BDBM232925 US9346839, 6

SMILES: CCOP(=O)(OCC)[C@@H](Nc1nc2cc(OC)ccc2s1)c1ccc(O)c(c1)C(=O)OC

InChI Key: InChIKey=QKHXYVSKSUOZKQ-LJQANCHMSA-N

Data: 1 KI  1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 232925   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Amyloid Binding Alcohol Dehydrogenase


(Homo sapiens (Human))
BDBM232925
PNG
(US9346839, 6)
Show SMILES CCOP(=O)(OCC)[C@@H](Nc1nc2cc(OC)ccc2s1)c1ccc(O)c(c1)C(=O)OC
Show InChI InChI=1S/C21H25N2O7PS/c1-5-29-31(26,30-6-2)19(13-7-9-17(24)15(11-13)20(25)28-4)23-21-22-16-12-14(27-3)8-10-18(16)32-21/h7-12,19,24H,5-6H2,1-4H3,(H,22,23)/t19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
4.49E+4n/a 1.65E+5n/an/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 μM), NADH (102 μ...


US Patent US9346839 (2016)


BindingDB Entry DOI: 10.7270/Q2J1022N
More data for this
Ligand-Target Pair