BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'bunte' and Initial = 'ev'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50228080
PNG
(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6|
Show InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558138
PNG
(CHEMBL4792628)
Show SMILES CC[C@](C(=O)OC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
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 21n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558141
PNG
(CHEMBL4759836)
Show SMILES COC(=O)C(CC1CC1)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558133
PNG
(CHEMBL4764165)
Show SMILES CC[C@](c1noc(n1)C1CC1)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558153
PNG
(CHEMBL4798697)
Show SMILES COC(=O)C(c1ccc(Cl)cc1Cl)n1ccc2c(NS(C)(=O)=O)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558143
PNG
(CHEMBL4794194)
Show SMILES CCC(C(=O)OC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558139
PNG
(CHEMBL4777170)
Show SMILES COC(=O)C(CC#N)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558135
PNG
(CHEMBL4776613)
Show SMILES CC[C@](C(=O)NCC(F)(F)F)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 97n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558136
PNG
(CHEMBL4563704)
Show SMILES CC[C@](C(=O)NC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 115n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558144
PNG
(CHEMBL4790021)
Show SMILES COC(=O)C(C)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558148
PNG
(CHEMBL4746794)
Show SMILES COC(=O)C(c1ccc(F)cc1Cl)n1ccc2c(cccc12)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50318300
PNG
(CHEMBL1095097 | EPLERENONE | SC-66110)
Show SMILES COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13 |r,t:6|
Show InChI InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/a 244n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558142
PNG
(CHEMBL4755269)
Show SMILES COC(=O)C(Cc1ccccc1)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 275n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50558148
PNG
(CHEMBL4746794)
Show SMILES COC(=O)C(c1ccc(F)cc1Cl)n1ccc2c(cccc12)C#N
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at glucocorticoid receptor (unknown origin) by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558137
PNG
(CHEMBL4749536)
Show SMILES CC[C@@](C(=O)OC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 330n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50558137
PNG
(CHEMBL4749536)
Show SMILES CC[C@@](C(=O)OC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at progesterone receptor (unknown origin) by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558154
PNG
(CHEMBL4742925)
Show SMILES COC(=O)C(c1ccc(F)cc1Cl)n1ccc2c(NS(C)(=O)=O)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 530n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558149
PNG
(CHEMBL4754975)
Show SMILES COC(=O)C(c1ccc(F)cc1Cl)n1ccc2c(Cl)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 940n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558134
PNG
(CHEMBL4796191)
Show SMILES CC[C@](C(=O)NC(C)(C)C)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 960n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50558152
PNG
(CHEMBL4747722)
Show SMILES COC(=O)C(c1ccc(cc1)-c1ccccc1Cl)n1ccc2c(NS(C)(=O)=O)cccc12
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at progesterone receptor (unknown origin) by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558157
PNG
(CHEMBL4748904)
Show SMILES COC(=O)C(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558152
PNG
(CHEMBL4747722)
Show SMILES COC(=O)C(c1ccc(cc1)-c1ccccc1Cl)n1ccc2c(NS(C)(=O)=O)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558140
PNG
(CHEMBL4760159)
Show SMILES COCC(C(=O)OC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558132
PNG
(CHEMBL4792176)
Show SMILES CC[C@](c1noc(n1)-c1ccccc1)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558145
PNG
(CHEMBL4759690)
Show SMILES COC(=O)C(c1ccc(F)cc1Cl)n1ccc2c(NS(=O)(=O)C(F)(F)F)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.12E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558150
PNG
(CHEMBL4756852)
Show SMILES COC(=O)C(c1ccc(F)cc1Cl)n1ccc2c(F)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.31E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558151
PNG
(CHEMBL4777887)
Show SMILES COC(=O)C(c1ccc(F)cc1Cl)n1ccc2ccccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50558154
PNG
(CHEMBL4742925)
Show SMILES COC(=O)C(c1ccc(F)cc1Cl)n1ccc2c(NS(C)(=O)=O)cccc12
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at glucocorticoid receptor (unknown origin) by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50558136
PNG
(CHEMBL4563704)
Show SMILES CC[C@](C(=O)NC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at glucocorticoid receptor (unknown origin) by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50558138
PNG
(CHEMBL4792628)
Show SMILES CC[C@](C(=O)OC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at progesterone receptor (unknown origin) by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558158
PNG
(CHEMBL4746832)
Show SMILES COC(=O)C(c1ccccc1)n1ccc2c(NS(C)(=O)=O)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558147
PNG
(CHEMBL4798873)
Show SMILES CCOC(=O)c1cccc2n(ccc12)C(C(=O)OC)c1ccc(F)cc1Cl
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50558153
PNG
(CHEMBL4798697)
Show SMILES COC(=O)C(c1ccc(Cl)cc1Cl)n1ccc2c(NS(C)(=O)=O)cccc12
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at glucocorticoid receptor (unknown origin) by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
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
Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at progesterone receptor (unknown origin) by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558146
PNG
(CHEMBL4763926)
Show SMILES COC(=O)C(c1ccc(F)cc1Cl)n1ccc2c(NC(=O)C(F)(F)F)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558155
PNG
(CHEMBL4794041)
Show SMILES COC(=O)C(c1ccc(OC)cc1)n1ccc2c(NS(C)(=O)=O)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50558156
PNG
(CHEMBL4780739)
Show SMILES COC(=O)C(c1ccc(F)cc1)n1ccc2c(NS(C)(=O)=O)cccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

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


TBA

Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
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>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at glucocorticoid receptor (unknown origin) by PathHunter assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
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
Article
PubMed
n/an/a>1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP3A4 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
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
Article
PubMed
n/an/a>1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2C9 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
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
Article
PubMed
n/an/a>1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2C8 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
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
Article
PubMed
n/an/a>1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4
More data for this
Ligand-Target Pair