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BDBM264503 N-ethyl-17-(5-fluoropyridin-3-yl)-N-(2-hydroxyethyl)oestra-1,3,5(10),16-tetraene-3-carboxamide::US9714266, 32

SMILES: [H][C@@]12CC=C(c3cncc(F)c3)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)N(CC)CCO

InChI Key: InChIKey=WGVSGDBEHNIHTH-WXGXSRQYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 264503   
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
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM264503
PNG
(N-ethyl-17-(5-fluoropyridin-3-yl)-N-(2-hydroxyethy...)
Show SMILES CCN(CCO)C(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1
Show InChI InChI=1S/C28H33FN2O2/c1-3-31(12-13-32)27(33)19-5-6-22-18(14-19)4-7-24-23(22)10-11-28(2)25(8-9-26(24)28)20-15-21(29)17-30-16-20/h5-6,8,14-17,23-24,26,32H,3-4,7,9-13H2,1-2H3/t23-,24-,26+,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 11n/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