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BDBM232923 US9346839, 4

SMILES: COC(=O)c1cc(ccc1O)[C@H](Nc1nc2ccc(OC)cc2s1)P(=O)(OC)OC

InChI Key: InChIKey=UFYZZKPXXAXJHI-QGZVFWFLSA-N

Data: 2 KI  2 IC50  2 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 232923   
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))
BDBM232923
PNG
(US9346839, 4)
Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2ccc(OC)cc2s1)P(=O)(OC)OC
Show InChI InChI=1S/C19H21N2O7PS/c1-25-12-6-7-14-16(10-12)30-19(20-14)21-17(29(24,27-3)28-4)11-5-8-15(22)13(9-11)18(23)26-2/h5-10,17,22H,1-4H3,(H,20,21)/t17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
9.66E+4n/a 3.41E+5 496n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The interactions between compounds and ABAD were performed using the dual flow cell BIACORE 3000 instrument. Surface Plasmon Resonance (SPR) studies ...


US Patent US9346839 (2016)


BindingDB Entry DOI: 10.7270/Q2J1022N
More data for this
Ligand-Target Pair
Amyloid Binding Alcohol Dehydrogenase


(Homo sapiens (Human))
BDBM232923
PNG
(US9346839, 4)
Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2ccc(OC)cc2s1)P(=O)(OC)OC
Show InChI InChI=1S/C19H21N2O7PS/c1-25-12-6-7-14-16(10-12)30-19(20-14)21-17(29(24,27-3)28-4)11-5-8-15(22)13(9-11)18(23)26-2/h5-10,17,22H,1-4H3,(H,20,21)/t17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
5.50E+3n/a 1.96E+4 496n/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