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SMILES: [H][C@@]12CC=C(c3cncc(F)c3)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)N1CCC[C@H]1C(N)=O

InChI Key: InChIKey=FOFOHXXVEOYPBX-FFKSTQNWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 264501   
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))		BDBM264501
PNG
(1-{[17-(5-fluoropyridin-3-yl)oestra-1,3,5(10),16-t...)
Show SMILES [H][C@@]12CC=C(c3cncc(F)c3)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)N1CCC[C@H]1C(N)=O |r,t:3|
Show InChI InChI=1S/C29H32FN3O2/c1-29-11-10-22-21-6-5-18(28(35)33-12-2-3-26(33)27(31)34)13-17(21)4-7-23(22)25(29)9-8-24(29)19-14-20(30)16-32-15-19/h5-6,8,13-16,22-23,25-26H,2-4,7,9-12H2,1H3,(H2,31,34)/t22-,23-,25+,26+,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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)


BindingDB Entry DOI: 10.7270/Q2ZG6V7W
More data for this
Ligand-Target Pair