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BDBM186083 US9163012, 1

SMILES: NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Oc1ncc(F)cc1F)C(C3)C2

InChI Key: InChIKey=PZDSCMKUHJRCQB-CALZPMAVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 186083   
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM186083
PNG
(US9163012, 1)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Oc1ncc(F)cc1F)C(C3)C2 |r,wU:9.10,16.19,wD:3.2,TLB:6:7:29:4.5.28,6:5:29:7.9.8,THB:9:7:4:29.27.28,9:27:4:7.6.8,10:9:29:4.5.28,(-7.63,-22.85,;-6.3,-23.62,;-6.3,-25.16,;-4.97,-22.85,;-5.8,-24.76,;-4.4,-24.11,;-3.2,-24.78,;-2.3,-22.85,;-3.63,-23.63,;-2.3,-21.31,;-.97,-20.54,;.36,-21.32,;.36,-22.86,;1.7,-20.55,;1.7,-19.01,;3.16,-18.53,;4.07,-19.78,;3.16,-21.02,;5.61,-19.78,;6.38,-18.44,;7.87,-18.84,;8.95,-17.75,;8.56,-16.26,;9.64,-15.18,;7.07,-15.87,;5.98,-16.95,;4.49,-16.56,;-3.63,-20.55,;-4.39,-21.71,;-4.97,-21.31,)|
Show InChI InChI=1S/C21H25F2N3O4/c22-14-5-16(23)18(25-9-14)29-15-1-2-26(10-15)20(28)30-17-12-3-11-4-13(17)8-21(6-11,7-12)19(24)27/h5,9,11-13,15,17H,1-4,6-8,10H2,(H2,24,27)/t11?,12?,13?,15-,17-,21-/m1/s1
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Similars
US Patent
n/an/a 1.54n/an/an/an/an/a25



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt...

US Patent US9163012 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W45
More data for this
Ligand-Target Pair