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BDBM50377347 CHEMBL404640

SMILES: COc1ccc(-c2cc(C)c3NC(C)(C)CC(C)c3c2Cl)c2[nH]ccc12

InChI Key: InChIKey=NZGNOGXYEWYRJB-UHFFFAOYSA-N

Data: 2 KI  2 IC50  1 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 = 50377347   
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))
BDBM50377347
PNG
(CHEMBL404640)
Show SMILES COc1ccc(-c2cc(C)c3NC(C)(C)CC(C)c3c2Cl)c2[nH]ccc12 |w:16.16|
Show InChI InChI=1S/C22H25ClN2O/c1-12-10-16(14-6-7-17(26-5)15-8-9-24-21(14)15)19(23)18-13(2)11-22(3,4)25-20(12)18/h6-10,13,24-25H,11H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50377347
PNG
(CHEMBL404640)
Show SMILES COc1ccc(-c2cc(C)c3NC(C)(C)CC(C)c3c2Cl)c2[nH]ccc12 |w:16.16|
Show InChI InChI=1S/C22H25ClN2O/c1-12-10-16(14-6-7-17(26-5)15-8-9-24-21(14)15)19(23)18-13(2)11-22(3,4)25-20(12)18/h6-10,13,24-25H,11H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
6.60E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at progesterone receptor


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50377347
PNG
(CHEMBL404640)
Show SMILES COc1ccc(-c2cc(C)c3NC(C)(C)CC(C)c3c2Cl)c2[nH]ccc12 |w:16.16|
Show InChI InChI=1S/C22H25ClN2O/c1-12-10-16(14-6-7-17(26-5)15-8-9-24-21(14)15)19(23)18-13(2)11-22(3,4)25-20(12)18/h6-10,13,24-25H,11H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at glucocorticoid receptor assessed as repression of TNFalpha and IL1 beta-induced E-selectin expression


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50377347
PNG
(CHEMBL404640)
Show SMILES COc1ccc(-c2cc(C)c3NC(C)(C)CC(C)c3c2Cl)c2[nH]ccc12 |w:16.16|
Show InChI InChI=1S/C22H25ClN2O/c1-12-10-16(14-6-7-17(26-5)15-8-9-24-21(14)15)19(23)18-13(2)11-22(3,4)25-20(12)18/h6-10,13,24-25H,11H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor assessed as inhibition of dexamethasone-induced glucose response element transcriptional transactivati...


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50377347
PNG
(CHEMBL404640)
Show SMILES COc1ccc(-c2cc(C)c3NC(C)(C)CC(C)c3c2Cl)c2[nH]ccc12 |w:16.16|
Show InChI InChI=1S/C22H25ClN2O/c1-12-10-16(14-6-7-17(26-5)15-8-9-24-21(14)15)19(23)18-13(2)11-22(3,4)25-20(12)18/h6-10,13,24-25H,11H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor assessed as glucose repsponse element transcriptional transactivation by luciferase assay


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair