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BDBM50402496 CHEMBL2204045

SMILES: COc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1

InChI Key: InChIKey=NDLLRHKTGJQNKH-HDICACEKSA-N

Data: 2 KI

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 = 50402496   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402496
PNG
(CHEMBL2204045)
Show SMILES COc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:17.18,20.25,(12.38,-46.43,;11.04,-47.19,;9.72,-46.41,;9.72,-44.86,;8.37,-44.08,;7.03,-44.84,;7.03,-46.38,;8.36,-47.16,;8.36,-48.72,;7.02,-49.51,;7.02,-51.06,;5.68,-51.83,;4.35,-51.06,;3,-51.85,;4.35,-49.51,;5.7,-48.74,;5.7,-47.2,;8.34,-51.83,;8.34,-53.37,;9.65,-54.15,;10.99,-53.39,;10.99,-51.85,;9.67,-51.06,;12.32,-54.17,;13.64,-53.4,;14.97,-54.18,;14.97,-55.72,;13.63,-56.48,;12.32,-55.7,)|
Show InChI InChI=1S/C24H26N2O3/c1-29-21-10-6-5-9-19(21)15-20-22(25-24(28)26-23(20)27)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-10,17-18H,11-15H2,1H3,(H2,25,26,27,28)/t17-,18+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402496
PNG
(CHEMBL2204045)
Show SMILES COc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:17.18,20.25,(12.38,-46.43,;11.04,-47.19,;9.72,-46.41,;9.72,-44.86,;8.37,-44.08,;7.03,-44.84,;7.03,-46.38,;8.36,-47.16,;8.36,-48.72,;7.02,-49.51,;7.02,-51.06,;5.68,-51.83,;4.35,-51.06,;3,-51.85,;4.35,-49.51,;5.7,-48.74,;5.7,-47.2,;8.34,-51.83,;8.34,-53.37,;9.65,-54.15,;10.99,-53.39,;10.99,-51.85,;9.67,-51.06,;12.32,-54.17,;13.64,-53.4,;14.97,-54.18,;14.97,-55.72,;13.63,-56.48,;12.32,-55.7,)|
Show InChI InChI=1S/C24H26N2O3/c1-29-21-10-6-5-9-19(21)15-20-22(25-24(28)26-23(20)27)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-10,17-18H,11-15H2,1H3,(H2,25,26,27,28)/t17-,18+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
56n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair