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BDBM335726 US9738632, Example 3

SMILES: C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2COCOc2c1

InChI Key: InChIKey=UJHWQXHVXNNPAL-OVGHYBAFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 335726   
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
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM335726
PNG
(US9738632, Example 3)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2COCOc2c1 |r|
Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-7-22-16-43-18-44-28(22)14-20)45-26-8-9-27-23(13-26)15-35-38(27)25-5-3-4-21(12-25)30(39)37-24-10-11-46(41,42)17-24/h3-9,12-15,19,24,29H,10-11,16-18H2,1-2H3,(H,36,40)(H,37,39)/t19-,24+,29-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...

US Patent US9738632 (2017)


BindingDB Entry DOI: 10.7270/Q2057J12
More data for this
Ligand-Target Pair