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BDBM50402482 CHEMBL2204059

SMILES: Cc1ccnc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1

InChI Key: InChIKey=ZSZHVQVCDQTXLM-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 = 50402482   
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))
BDBM50402482
PNG
(CHEMBL2204059)
Show SMILES Cc1ccnc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:15.15,18.22,(31.62,-37.88,;30.28,-38.65,;28.94,-37.86,;27.59,-38.62,;27.59,-40.16,;28.92,-40.95,;28.92,-42.51,;27.59,-43.29,;27.59,-44.85,;26.24,-45.62,;24.91,-44.85,;23.56,-45.64,;24.91,-43.3,;26.26,-42.53,;26.26,-40.99,;28.9,-45.62,;28.9,-47.16,;30.21,-47.93,;31.55,-47.17,;31.55,-45.63,;30.23,-44.85,;32.88,-47.95,;34.21,-47.19,;35.53,-47.96,;35.53,-49.51,;34.19,-50.27,;32.88,-49.49,;30.28,-40.19,)|
Show InChI InChI=1S/C23H25N3O2/c1-15-11-12-24-19(13-15)14-20-21(25-23(28)26-22(20)27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,11-13,17-18H,7-10,14H2,1H3,(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
21n/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))
BDBM50402482
PNG
(CHEMBL2204059)
Show SMILES Cc1ccnc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:15.15,18.22,(31.62,-37.88,;30.28,-38.65,;28.94,-37.86,;27.59,-38.62,;27.59,-40.16,;28.92,-40.95,;28.92,-42.51,;27.59,-43.29,;27.59,-44.85,;26.24,-45.62,;24.91,-44.85,;23.56,-45.64,;24.91,-43.3,;26.26,-42.53,;26.26,-40.99,;28.9,-45.62,;28.9,-47.16,;30.21,-47.93,;31.55,-47.17,;31.55,-45.63,;30.23,-44.85,;32.88,-47.95,;34.21,-47.19,;35.53,-47.96,;35.53,-49.51,;34.19,-50.27,;32.88,-49.49,;30.28,-40.19,)|
Show InChI InChI=1S/C23H25N3O2/c1-15-11-12-24-19(13-15)14-20-21(25-23(28)26-22(20)27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,11-13,17-18H,7-10,14H2,1H3,(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
44n/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