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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 = 'BDBM264480'   
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))
BDBM264480
PNG
(US9714266, 9 | methyl 11a-acetoxy-17-(5-fluoropyri...)
Show SMILES COC(=O)c1ccc2[C@H]3[C@@H](C[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1)OC(C)=O
Show InChI InChI=1S/C27H28FNO4/c1-15(30)33-24-12-27(2)22(18-11-19(28)14-29-13-18)8-9-23(27)21-7-4-16-10-17(26(31)32-3)5-6-20(16)25(21)24/h5-6,8,10-11,13-14,21,23-25H,4,7,9,12H2,1-3H3/t21-,23-,24+,25+,27+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 61n/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