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BDBM50400170 CHEMBL2179023

SMILES: O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC[C@H]4CCCO4)nc1C1CCCC1)C(C3)C2

InChI Key: InChIKey=IHUQFLXGIKCLLM-AWUNOLCYSA-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 = 50400170   
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))
BDBM50400170
PNG
(CHEMBL2179023)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC[C@H]4CCCO4)nc1C1CCCC1)C(C3)C2 |r,wU:7.8,17.17,wD:1.0,TLB:0:1:7:30.3.4,8:7:6.31.1:30.3.4,8:7:4:6.1.2,THB:0:1:7.29.30:4,2:1:7:30.3.4,2:3:7:6.31.1,31:29:4:6.1.2,31:1:7.29.30:4,(56.54,-4.17,;55.01,-4.15,;53.97,-3.03,;52.55,-3.58,;51.9,-4.85,;52.93,-5.93,;54.23,-5.37,;52.94,-7.67,;51.61,-8.45,;50.27,-7.68,;50.27,-6.14,;48.94,-8.46,;47.61,-7.69,;46.28,-8.46,;46.27,-10.01,;44.94,-10.78,;43.61,-10,;42.27,-10.77,;42.12,-12.3,;40.61,-12.62,;39.85,-11.29,;40.88,-10.14,;47.61,-10.78,;48.95,-10.01,;50.28,-10.77,;50.45,-12.3,;51.95,-12.62,;52.72,-11.28,;51.69,-10.14,;53.74,-6.34,;52.57,-5.02,;55.15,-5.78,)|
Show InChI InChI=1S/C25H36N4O3/c30-23(28-21-17-8-15-9-18(21)12-25(31,10-15)11-17)20-14-27-24(26-13-19-6-3-7-32-19)29-22(20)16-4-1-2-5-16/h14-19,21,31H,1-13H2,(H,28,30)(H,26,27,29)/t15?,17?,18?,19-,21-,25-/m1/s1
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Article
PubMed
n/an/a 22n/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))
BDBM50400170
PNG
(CHEMBL2179023)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC[C@H]4CCCO4)nc1C1CCCC1)C(C3)C2 |r,wU:7.8,17.17,wD:1.0,TLB:0:1:7:30.3.4,8:7:6.31.1:30.3.4,8:7:4:6.1.2,THB:0:1:7.29.30:4,2:1:7:30.3.4,2:3:7:6.31.1,31:29:4:6.1.2,31:1:7.29.30:4,(56.54,-4.17,;55.01,-4.15,;53.97,-3.03,;52.55,-3.58,;51.9,-4.85,;52.93,-5.93,;54.23,-5.37,;52.94,-7.67,;51.61,-8.45,;50.27,-7.68,;50.27,-6.14,;48.94,-8.46,;47.61,-7.69,;46.28,-8.46,;46.27,-10.01,;44.94,-10.78,;43.61,-10,;42.27,-10.77,;42.12,-12.3,;40.61,-12.62,;39.85,-11.29,;40.88,-10.14,;47.61,-10.78,;48.95,-10.01,;50.28,-10.77,;50.45,-12.3,;51.95,-12.62,;52.72,-11.28,;51.69,-10.14,;53.74,-6.34,;52.57,-5.02,;55.15,-5.78,)|
Show InChI InChI=1S/C25H36N4O3/c30-23(28-21-17-8-15-9-18(21)12-25(31,10-15)11-17)20-14-27-24(26-13-19-6-3-7-32-19)29-22(20)16-4-1-2-5-16/h14-19,21,31H,1-13H2,(H,28,30)(H,26,27,29)/t15?,17?,18?,19-,21-,25-/m1/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 42n/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