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BDBM245147 US9428460, 3

SMILES: Fc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12

InChI Key: InChIKey=QFVJJXMRDAEYGJ-WKILWMFISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 245147   
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
Androgen receptor (AR)


(Homo sapiens (Human))		BDBM245147
PNG
(US9428460, 3)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:14.18,wD:11.11,(8,5,;6.67,4.23,;5.33,5,;4,4.23,;4,2.69,;5.33,1.93,;6.67,2.69,;8,1.93,;2.67,1.93,;2.67,.39,;1.33,2.69,;,1.93,;-1.33,2.69,;-2.67,1.93,;-2.67,.38,;-1.33,-.38,;,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-2.67,-4.23,;-4,-5,;-5.33,-4.23,;-6.67,-5,;-8,-4.23,;-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,)|
Show InChI InChI=1S/C22H20F2N2O2/c23-18-10-5-14(13-19(18)24)22(27)26-15-6-8-16(9-7-15)28-21-11-12-25-20-4-2-1-3-17(20)21/h1-5,10-13,15-16H,6-9H2,(H,26,27)/t15-,16-
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 45n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair