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BDBM50400156 CHEMBL2179009

SMILES: O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(N[C@H]4CCOC4)nc1OC1CCC1)C(C3)C2

InChI Key: InChIKey=WOGPRQJEAZLPIH-BEWTZUMSSA-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 = 50400156   
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))
BDBM50400156
PNG
(CHEMBL2179009)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(N[C@H]4CCOC4)nc1OC1CCC1)C(C3)C2 |r,wU:7.8,16.16,wD:1.0,TLB:0:1:7:29.3.4,8:7:6.30.1:29.3.4,8:7:4:6.1.2,THB:0:1:7.28.29:4,2:1:7:29.3.4,2:3:7:6.30.1,30:28:4:6.1.2,30:1:7.28.29:4,(78.03,-46.48,;76.5,-46.47,;75.45,-45.35,;74.04,-45.89,;73.39,-47.17,;74.42,-48.24,;75.72,-47.68,;74.43,-49.98,;73.1,-50.76,;71.76,-50,;71.75,-48.46,;70.43,-50.77,;69.09,-50.01,;67.76,-50.78,;67.76,-52.32,;66.43,-53.09,;65.09,-52.32,;63.68,-52.95,;62.65,-51.8,;63.43,-50.47,;64.93,-50.79,;69.1,-53.09,;70.43,-52.32,;71.77,-53.09,;71.77,-54.63,;70.68,-55.71,;71.77,-56.8,;72.86,-55.71,;75.23,-48.66,;74.06,-47.33,;76.64,-48.1,)|
Show InChI InChI=1S/C23H32N4O4/c28-20(26-19-14-6-13-7-15(19)10-23(29,8-13)9-14)18-11-24-22(25-16-4-5-30-12-16)27-21(18)31-17-2-1-3-17/h11,13-17,19,29H,1-10,12H2,(H,26,28)(H,24,25,27)/t13?,14?,15?,16-,19-,23-/m0/s1
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Article
PubMed
n/an/a 20n/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))
BDBM50400156
PNG
(CHEMBL2179009)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(N[C@H]4CCOC4)nc1OC1CCC1)C(C3)C2 |r,wU:7.8,16.16,wD:1.0,TLB:0:1:7:29.3.4,8:7:6.30.1:29.3.4,8:7:4:6.1.2,THB:0:1:7.28.29:4,2:1:7:29.3.4,2:3:7:6.30.1,30:28:4:6.1.2,30:1:7.28.29:4,(78.03,-46.48,;76.5,-46.47,;75.45,-45.35,;74.04,-45.89,;73.39,-47.17,;74.42,-48.24,;75.72,-47.68,;74.43,-49.98,;73.1,-50.76,;71.76,-50,;71.75,-48.46,;70.43,-50.77,;69.09,-50.01,;67.76,-50.78,;67.76,-52.32,;66.43,-53.09,;65.09,-52.32,;63.68,-52.95,;62.65,-51.8,;63.43,-50.47,;64.93,-50.79,;69.1,-53.09,;70.43,-52.32,;71.77,-53.09,;71.77,-54.63,;70.68,-55.71,;71.77,-56.8,;72.86,-55.71,;75.23,-48.66,;74.06,-47.33,;76.64,-48.1,)|
Show InChI InChI=1S/C23H32N4O4/c28-20(26-19-14-6-13-7-15(19)10-23(29,8-13)9-14)18-11-24-22(25-16-4-5-30-12-16)27-21(18)31-17-2-1-3-17/h11,13-17,19,29H,1-10,12H2,(H,26,28)(H,24,25,27)/t13?,14?,15?,16-,19-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 22n/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