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SMILES: CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12

InChI Key: InChIKey=RKFFHZQKHIMLAH-IBGZPJMESA-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 10 hits for monomerid = 50510665   
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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510665
PNG
(CHEMBL4439903)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510665
PNG
(CHEMBL4439903)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50510665
PNG
(CHEMBL4439903)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 125n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by gel filtration assay


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510665
PNG
(CHEMBL4439903)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 21n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50510665
PNG
(CHEMBL4439903)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50510665
PNG
(CHEMBL4439903)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.30E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50510665
PNG
(CHEMBL4439903)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.30E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50510665
PNG
(CHEMBL4439903)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.30E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50510665
PNG
(CHEMBL4439903)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50510665
PNG
(CHEMBL4439903)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.30E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair