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BDBM50400154 CHEMBL2179011

SMILES: O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4CCS(=O)(=O)CC4)nc1OC1CCC1)C(C3)C2

InChI Key: InChIKey=IPMLXGOWSYFXAV-XVVRHBAHSA-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 = 50400154   
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))
BDBM50400154
PNG
(CHEMBL2179011)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4CCS(=O)(=O)CC4)nc1OC1CCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:32.3.4,8:7:6.33.1:32.3.4,8:7:4:6.1.2,THB:0:1:7.31.32:4,2:1:7:32.3.4,2:3:7:6.33.1,33:31:4:6.1.2,33:1:7.31.32:4,(36.2,-3.56,;34.67,-3.54,;33.62,-2.42,;32.21,-2.97,;31.56,-4.24,;32.59,-5.32,;33.89,-4.76,;32.6,-7.06,;31.27,-7.84,;29.93,-7.07,;29.92,-5.53,;28.6,-7.85,;27.26,-7.08,;25.93,-7.85,;25.93,-9.4,;24.59,-10.17,;23.26,-9.4,;23.27,-7.86,;21.94,-7.08,;20.6,-7.85,;19.1,-8.24,;19.5,-6.75,;20.6,-9.39,;21.93,-10.17,;27.26,-10.17,;28.6,-9.4,;29.94,-10.17,;29.94,-11.71,;28.85,-12.79,;29.94,-13.88,;31.03,-12.79,;33.4,-5.73,;32.23,-4.41,;34.81,-5.17,)|
Show InChI InChI=1S/C24H34N4O5S/c29-21(27-20-15-8-14-9-16(20)12-24(30,10-14)11-15)19-13-25-23(28-22(19)33-18-2-1-3-18)26-17-4-6-34(31,32)7-5-17/h13-18,20,30H,1-12H2,(H,27,29)(H,25,26,28)/t14?,15?,16?,20-,24-
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PC cid
PC sid
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Article
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n/an/a 48n/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))
BDBM50400154
PNG
(CHEMBL2179011)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4CCS(=O)(=O)CC4)nc1OC1CCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:32.3.4,8:7:6.33.1:32.3.4,8:7:4:6.1.2,THB:0:1:7.31.32:4,2:1:7:32.3.4,2:3:7:6.33.1,33:31:4:6.1.2,33:1:7.31.32:4,(36.2,-3.56,;34.67,-3.54,;33.62,-2.42,;32.21,-2.97,;31.56,-4.24,;32.59,-5.32,;33.89,-4.76,;32.6,-7.06,;31.27,-7.84,;29.93,-7.07,;29.92,-5.53,;28.6,-7.85,;27.26,-7.08,;25.93,-7.85,;25.93,-9.4,;24.59,-10.17,;23.26,-9.4,;23.27,-7.86,;21.94,-7.08,;20.6,-7.85,;19.1,-8.24,;19.5,-6.75,;20.6,-9.39,;21.93,-10.17,;27.26,-10.17,;28.6,-9.4,;29.94,-10.17,;29.94,-11.71,;28.85,-12.79,;29.94,-13.88,;31.03,-12.79,;33.4,-5.73,;32.23,-4.41,;34.81,-5.17,)|
Show InChI InChI=1S/C24H34N4O5S/c29-21(27-20-15-8-14-9-16(20)12-24(30,10-14)11-15)19-13-25-23(28-22(19)33-18-2-1-3-18)26-17-4-6-34(31,32)7-5-17/h13-18,20,30H,1-12H2,(H,27,29)(H,25,26,28)/t14?,15?,16?,20-,24-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31n/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