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BDBM186145 US9163012, 62

SMILES: Cn1c2ccccc2n([C@@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O

InChI Key: InChIKey=PFBKWOOKYMGJLN-YALMGZAISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 186145   
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))		BDBM186145
PNG
(US9163012, 62)
Show SMILES Cn1c2ccccc2n([C@@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O |r,wU:17.18,9.9,wD:24.31,TLB:17:18:25:23.22.21,16:17:23:25.20.21,THB:17:22:25:18.19.26,19:18:23:25.20.21,19:20:23:18.17.26,(8.47,2.95,;7.14,2.18,;7.14,.64,;8.28,-.4,;7.96,-1.9,;6.5,-2.38,;5.35,-1.35,;5.67,.16,;4.77,1.41,;3.23,1.41,;2.32,2.65,;.86,2.18,;.86,.64,;2.32,.16,;-.48,-.13,;-.48,-1.67,;-1.81,.64,;-3.14,-.13,;-3.14,-1.67,;-4.04,-3.6,;-5.24,-2.93,;-5.23,-.53,;-4.47,.63,;-5.8,-.13,;-5.8,-1.67,;-6.64,-3.58,;-4.47,-2.45,;-7.14,-2.44,;-8.47,-1.67,;-7.14,-3.98,;5.67,2.65,;4.9,3.98,)|
Show InChI InChI=1S/C24H30N4O4/c1-26-18-4-2-3-5-19(18)28(22(26)30)17-6-7-27(13-17)23(31)32-20-15-8-14-9-16(20)12-24(10-14,11-15)21(25)29/h2-5,14-17,20H,6-13H2,1H3,(H2,25,29)/t14?,15?,16?,17-,20-,24-/m1/s1
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Similars
US Patent
n/an/a 3.07n/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