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BDBM50267601 CHEMBL4087459

SMILES: [H][C@@]12[C@H](CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O)OC(C)=O)C(=O)CO

InChI Key: InChIKey=JEMGOJBTQIXYDM-PZFMVRPFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50267601   
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))		BDBM50267601
PNG
(CHEMBL4087459)
Show SMILES [H][C@@]12[C@H](CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O)OC(C)=O)C(=O)CO |r|
Show InChI InChI=1S/C28H44O6/c1-16(30)33-20-14-22-26(5)11-10-23(34-17(2)31)25(3,4)21(26)9-13-27(22,6)28(7)12-8-18(24(20)28)19(32)15-29/h18,20-24,29H,8-15H2,1-7H3/t18-,20-,21+,22-,23+,24+,26+,27-,28-/m1/s1
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Article
PubMed
n/an/a 488n/an/an/an/an/an/a



State Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming 650204, China.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11beta-HSD1 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 2 hr by scintillation prox...

Eur J Med Chem 135: 324-338 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.059
BindingDB Entry DOI: 10.7270/Q2CF9SK2
More data for this
Ligand-Target Pair