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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1,5-anhydro-D-fructose reductase' and Ligand = 'BDBM269302'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
1,5-anhydro-D-fructose reductase


(Homo sapiens (Human))
BDBM269302
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1cccc2ncccc12
Show InChI InChI=1S/C29H29FN4O2/c1-29(2)28(36)34(17-18-12-14-33(16-18)27(35)19-8-9-19)26(32-29)23-11-10-20(15-24(23)30)21-5-3-7-25-22(21)6-4-13-31-25/h3-7,10-11,13,15,18-19H,8-9,12,14,16-17H2,1-2H3/t18-/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 302n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair