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BDBM50124595 5-Allyl-10-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysen-9-ol::CHEMBL273658

SMILES: CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4ccc(O)c(Cl)c-34)c12

InChI Key: InChIKey=CYBZSWXWFMWSAP-UHFFFAOYSA-N

Data: 2 KI  3 EC50

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 5 hits for monomerid = 50124595   
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))
BDBM50124595
PNG
(5-Allyl-10-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4ccc(O)c(Cl)c-34)c12
Show InChI InChI=1S/C22H22ClNO2/c1-5-6-16-19-13(20-17(26-16)10-9-15(25)21(20)23)7-8-14-18(19)12(2)11-22(3,4)24-14/h5,7-11,16,24-25H,1,6H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.580n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50124595
PNG
(5-Allyl-10-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4ccc(O)c(Cl)c-34)c12
Show InChI InChI=1S/C22H22ClNO2/c1-5-6-16-19-13(20-17(26-16)10-9-15(25)21(20)23)7-8-14-18(19)12(2)11-22(3,4)24-14/h5,7-11,16,24-25H,1,6H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
7.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-progesterone from human Progesterone receptor A


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50124595
PNG
(5-Allyl-10-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4ccc(O)c(Cl)c-34)c12
Show InChI InChI=1S/C22H22ClNO2/c1-5-6-16-19-13(20-17(26-16)10-9-15(25)21(20)23)7-8-14-18(19)12(2)11-22(3,4)24-14/h5,7-11,16,24-25H,1,6H2,2-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 78n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conconavalin A stimulated rat splenocyte proliferation


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124595
PNG
(5-Allyl-10-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4ccc(O)c(Cl)c-34)c12
Show InChI InChI=1S/C22H22ClNO2/c1-5-6-16-19-13(20-17(26-16)10-9-15(25)21(20)23)7-8-14-18(19)12(2)11-22(3,4)24-14/h5,7-11,16,24-25H,1,6H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards aldosterone receptor (Mineralocorticoid receptor)


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124595
PNG
(5-Allyl-10-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4ccc(O)c(Cl)c-34)c12
Show InChI InChI=1S/C22H22ClNO2/c1-5-6-16-19-13(20-17(26-16)10-9-15(25)21(20)23)7-8-14-18(19)12(2)11-22(3,4)24-14/h5,7-11,16,24-25H,1,6H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 29n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards aldosterone receptor (Mineralocorticoid receptor)


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair