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BDBM50402484 CHEMBL2204057

SMILES: Cc1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)n1

InChI Key: InChIKey=BWSXTKUBVPLPRK-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 = 50402484   
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))
BDBM50402484
PNG
(CHEMBL2204057)
Show SMILES Cc1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)n1 |r,wU:15.15,18.22,(58.07,-19.9,;59.4,-20.68,;60.75,-19.92,;62.09,-20.7,;62.09,-22.24,;60.73,-23,;60.73,-24.56,;59.4,-25.35,;59.4,-26.9,;58.06,-27.67,;56.72,-26.9,;55.37,-27.69,;56.72,-25.35,;58.07,-24.58,;58.07,-23.04,;60.72,-27.67,;60.72,-29.21,;62.02,-29.99,;63.36,-29.23,;63.36,-27.68,;62.04,-26.9,;64.69,-30.01,;66.02,-29.24,;67.34,-30.02,;67.34,-31.56,;66,-32.32,;64.69,-31.54,;59.4,-22.22,)|
Show InChI InChI=1S/C23H25N3O2/c1-15-6-5-9-19(24-15)14-20-21(25-23(28)26-22(20)27)18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-9,17-18H,10-14H2,1H3,(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
22n/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))
BDBM50402484
PNG
(CHEMBL2204057)
Show SMILES Cc1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)n1 |r,wU:15.15,18.22,(58.07,-19.9,;59.4,-20.68,;60.75,-19.92,;62.09,-20.7,;62.09,-22.24,;60.73,-23,;60.73,-24.56,;59.4,-25.35,;59.4,-26.9,;58.06,-27.67,;56.72,-26.9,;55.37,-27.69,;56.72,-25.35,;58.07,-24.58,;58.07,-23.04,;60.72,-27.67,;60.72,-29.21,;62.02,-29.99,;63.36,-29.23,;63.36,-27.68,;62.04,-26.9,;64.69,-30.01,;66.02,-29.24,;67.34,-30.02,;67.34,-31.56,;66,-32.32,;64.69,-31.54,;59.4,-22.22,)|
Show InChI InChI=1S/C23H25N3O2/c1-15-6-5-9-19(24-15)14-20-21(25-23(28)26-22(20)27)18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-9,17-18H,10-14H2,1H3,(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
57n/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