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SMILES: COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12

InChI Key: InChIKey=XCCRMYVOJIFMED-UHFFFAOYSA-N

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 6 hits for monomerid = 50110734   
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))
BDBM50110734
PNG
(CHEMBL3605930)
Show SMILES COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C16H15ClN2O3S/c1-22-15-7-6-10(17)8-12(15)13-9-18-16-11(13)4-3-5-14(16)19-23(2,20)21/h3-9,18-19H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
5.5n/an/an/an/an/an/an/an/a



Eli Lilly Biotechnology Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...


J Med Chem 58: 6607-18 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7RMV
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50110734
PNG
(CHEMBL3605930)
Show SMILES COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C16H15ClN2O3S/c1-22-15-7-6-10(17)8-12(15)13-9-18-16-11(13)4-3-5-14(16)19-23(2,20)21/h3-9,18-19H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
233n/an/an/an/an/an/an/an/a



Eli Lilly Biotechnology Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-progesterone from human progesterone receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...


J Med Chem 58: 6607-18 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7RMV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50110734
PNG
(CHEMBL3605930)
Show SMILES COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C16H15ClN2O3S/c1-22-15-7-6-10(17)8-12(15)13-9-18-16-11(13)4-3-5-14(16)19-23(2,20)21/h3-9,18-19H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
697n/an/an/an/an/an/an/an/a



Eli Lilly Biotechnology Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...


J Med Chem 58: 6607-18 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7RMV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50110734
PNG
(CHEMBL3605930)
Show SMILES COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C16H15ClN2O3S/c1-22-15-7-6-10(17)8-12(15)13-9-18-16-11(13)4-3-5-14(16)19-23(2,20)21/h3-9,18-19H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
4.47E+3n/an/an/an/an/an/an/an/a



Eli Lilly Biotechnology Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competit...


J Med Chem 58: 6607-18 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7RMV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50110734
PNG
(CHEMBL3605930)
Show SMILES COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C16H15ClN2O3S/c1-22-15-7-6-10(17)8-12(15)13-9-18-16-11(13)4-3-5-14(16)19-23(2,20)21/h3-9,18-19H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 143n/an/an/an/an/an/a



Eli Lilly Biotechnology Center

Curated by ChEMBL


Assay Description
Antagonist activity against glucocorticoid receptor (unknown origin) expressed in HEK293 cells by GRE-dependent luciferase reporter gene assay


J Med Chem 58: 6607-18 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7RMV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50110734
PNG
(CHEMBL3605930)
Show SMILES COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C16H15ClN2O3S/c1-22-15-7-6-10(17)8-12(15)13-9-18-16-11(13)4-3-5-14(16)19-23(2,20)21/h3-9,18-19H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Eli Lilly Biotechnology Center

Curated by ChEMBL


Assay Description
Antagonist activity against glucocorticoid receptor in rat H4-IIE cells assessed as inhibition of dexamethasone-induced receptor transactivation pre-...


J Med Chem 58: 6607-18 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7RMV
More data for this
Ligand-Target Pair