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SMILES: CC(C)[C@H](CO)NC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1

InChI Key: InChIKey=TWFOVZJSSBAERE-OMEAKQCKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 264487   
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))		BDBM264487
PNG
(17-(5-fluoropyridin-3-yl)-N?[(R)-1-(hydroxymethyl)...)
Show SMILES CC(C)[C@H](CO)NC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20|
Show InChI InChI=1S/C29H35FN2O2/c1-17(2)27(16-33)32-28(34)19-5-6-22-18(12-19)4-7-24-23(22)10-11-29(3)25(8-9-26(24)29)20-13-21(30)15-31-14-20/h5-6,8,12-15,17,23-24,26-27,33H,4,7,9-11,16H2,1-3H3,(H,32,34)/t23-,24-,26+,27+,29-/m1/s1
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KEGG

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US Patent
n/an/a 15n/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