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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto-reductase family 1 member C3' and Ligand = 'BDBM264483'   
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
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM264483
PNG
(17-(5-fluoropyridin-3-yl)-N?[(R)-3-(hydroxymethyl)...)
Show SMILES C[C@@H](CO)CCNC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1
Show InChI InChI=1S/C29H35FN2O2/c1-18(17-33)10-12-32-28(34)20-4-5-23-19(13-20)3-6-25-24(23)9-11-29(2)26(7-8-27(25)29)21-14-22(30)16-31-15-21/h4-5,7,13-16,18,24-25,27,33H,3,6,8-12,17H2,1-2H3,(H,32,34)/t18-,24-,25-,27+,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/an/an/an/a7.0n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtitre plat...


US Patent US9714266 (2017)

More data for this
Ligand-Target Pair