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BDBM50091049 CHEMBL3582125

SMILES: CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1ccnc2ncccc12

InChI Key: InChIKey=FTBHWGQLEZPPMF-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50091049   
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))
BDBM50091049
PNG
(CHEMBL3582125)
Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1ccnc2ncccc12
Show InChI InChI=1S/C24H25N3O/c1-23(2)19-13-18(15-10-12-26-21-17(15)9-6-11-25-21)14-7-5-8-16(14)20(19)27-24(3,4)22(23)28/h6,9-13,27H,5,7-8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50091049
PNG
(CHEMBL3582125)
Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1ccnc2ncccc12
Show InChI InChI=1S/C24H25N3O/c1-23(2)19-13-18(15-10-12-26-21-17(15)9-6-11-25-21)14-7-5-8-16(14)20(19)27-24(3,4)22(23)28/h6,9-13,27H,5,7-8H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from cytosolic fraction of human recombinant mineralocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50091049
PNG
(CHEMBL3582125)
Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1ccnc2ncccc12
Show InChI InChI=1S/C24H25N3O/c1-23(2)19-13-18(15-10-12-26-21-17(15)9-6-11-25-21)14-7-5-8-16(14)20(19)27-24(3,4)22(23)28/h6,9-13,27H,5,7-8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.25E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-progesterone from cytosolic fraction of human recombinant progesterone-B receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091049
PNG
(CHEMBL3582125)
Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1ccnc2ncccc12
Show InChI InChI=1S/C24H25N3O/c1-23(2)19-13-18(15-10-12-26-21-17(15)9-6-11-25-21)14-7-5-8-16(14)20(19)27-24(3,4)22(23)28/h6,9-13,27H,5,7-8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor transfected in CHOK1 cells assessed as inhibition of dexamethasone-induced receptor transcriptio...


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair