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BDBM50400175 CHEMBL2179018

SMILES: O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4CCOCC4)nc1C1CCCC1)C(C3)C2

InChI Key: InChIKey=WTLFXXIUVHGLEH-WMZMXCJRSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50400175   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50400175
PNG
(CHEMBL2179018)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4CCOCC4)nc1C1CCCC1)C(C3)C2
Show InChI InChI=1S/C25H36N4O3/c30-23(28-21-17-9-15-10-18(21)13-25(31,11-15)12-17)20-14-26-24(27-19-5-7-32-8-6-19)29-22(20)16-3-1-2-4-16/h14-19,21,31H,1-13H2,(H,28,30)(H,26,27,29)/t15?,17?,18?,21-,25-
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by HTRF assay


J Med Chem 55: 10652-61 (2012)


Article DOI: 10.1021/jm3013163
BindingDB Entry DOI: 10.7270/Q2BG2Q4S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50400175
PNG
(CHEMBL2179018)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4CCOCC4)nc1C1CCCC1)C(C3)C2
Show InChI InChI=1S/C25H36N4O3/c30-23(28-21-17-9-15-10-18(21)13-25(31,11-15)12-17)20-14-26-24(27-19-5-7-32-8-6-19)29-22(20)16-3-1-2-4-16/h14-19,21,31H,1-13H2,(H,28,30)(H,26,27,29)/t15?,17?,18?,21-,25-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 by HTRF assay


J Med Chem 55: 10652-61 (2012)


Article DOI: 10.1021/jm3013163
BindingDB Entry DOI: 10.7270/Q2BG2Q4S
More data for this
Ligand-Target Pair