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SMILES: [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]

InChI Key: InChIKey=BLVNRNYSOFGQBE-OIGVQNGMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 264476   
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))		BDBM264476
PNG
(3-hydroxy-17-oxooestra-1,3,5(10)-trien-11a-yl acet...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
Show InChI InChI=1S/C20H24O4/c1-11(21)24-17-10-20(2)16(7-8-18(20)23)15-5-3-12-9-13(22)4-6-14(12)19(15)17/h4,6,9,15-17,19,22H,3,5,7-8,10H2,1-2H3/t15-,16-,17+,19+,20-/m0/s1
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US Patent
n/an/a 313n/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