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BDBM50382388 CHEMBL2023973

SMILES: CC(=C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O

InChI Key: InChIKey=WAZMEXFELKVLGG-ZHPDPMBESA-N

Data: 1 KI  1 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 = 50382388   
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))
BDBM50382388
PNG
(CHEMBL2023973)
Show SMILES CC(=C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|
Show InChI InChI=1S/C14H20N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h9-11H,1,4-7H2,2-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone as substrate by scintillation proximity assay


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382388
PNG
(CHEMBL2023973)
Show SMILES CC(=C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|
Show InChI InChI=1S/C14H20N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h9-11H,1,4-7H2,2-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair