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BDBM50112134 CHEMBL3609862

SMILES: NC(=O)C12CC3CC(C1)[C@H](NS(=O)(=O)c1ccccc1F)C(C3)C2

InChI Key: InChIKey=WWZPBPZNLUCGFA-CMVNQHTFSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50112134   
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


(Mus musculus (mouse))
BDBM50112134
PNG
(CHEMBL3609862)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NS(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C17H21FN2O3S/c18-13-3-1-2-4-14(13)24(22,23)20-15-11-5-10-6-12(15)9-17(7-10,8-11)16(19)21/h1-4,10-12,15,20H,5-9H2,(H2,19,21)/t10?,11?,12?,15-,17?
PDB
MMDB

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UniProtKB/SwissProt
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B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 244n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50112134
PNG
(CHEMBL3609862)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NS(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C17H21FN2O3S/c18-13-3-1-2-4-14(13)24(22,23)20-15-11-5-10-6-12(15)9-17(7-10,8-11)16(19)21/h1-4,10-12,15,20H,5-9H2,(H2,19,21)/t10?,11?,12?,15-,17?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair