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SMILES: COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1

InChI Key: InChIKey=ZZZQZZTYLVXHSC-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 4 hits for monomerid = 50321182   
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50321182
PNG
(CHEMBL1165483 | rac-3-(4-Nitrophenylamino)-3-cyclo...)
Show SMILES COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1
Show InChI InChI=1S/C22H26N2O4/c1-28-20-13-7-17(8-14-20)22(25)15-21(16-5-3-2-4-6-16)23-18-9-11-19(12-10-18)24(26)27/h7-14,16,21,23H,2-6,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
10.8n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting


Bioorg Med Chem 18: 4255-68 (2010)


Article DOI: 10.1016/j.bmc.2010.04.092
BindingDB Entry DOI: 10.7270/Q2QN67RQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50321182
PNG
(CHEMBL1165483 | rac-3-(4-Nitrophenylamino)-3-cyclo...)
Show SMILES COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1
Show InChI InChI=1S/C22H26N2O4/c1-28-20-13-7-17(8-14-20)22(25)15-21(16-5-3-2-4-6-16)23-18-9-11-19(12-10-18)24(26)27/h7-14,16,21,23H,2-6,15H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting


Bioorg Med Chem 18: 4255-68 (2010)


Article DOI: 10.1016/j.bmc.2010.04.092
BindingDB Entry DOI: 10.7270/Q2QN67RQ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50321182
PNG
(CHEMBL1165483 | rac-3-(4-Nitrophenylamino)-3-cyclo...)
Show SMILES COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1
Show InChI InChI=1S/C22H26N2O4/c1-28-20-13-7-17(8-14-20)22(25)15-21(16-5-3-2-4-6-16)23-18-9-11-19(12-10-18)24(26)27/h7-14,16,21,23H,2-6,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 139n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor B expressed in african green monkey CV1 cells co-transfected with MMTV-Luc assessed as effect on p...


Bioorg Med Chem 18: 4255-68 (2010)


Article DOI: 10.1016/j.bmc.2010.04.092
BindingDB Entry DOI: 10.7270/Q2QN67RQ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50321182
PNG
(CHEMBL1165483 | rac-3-(4-Nitrophenylamino)-3-cyclo...)
Show SMILES COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1
Show InChI InChI=1S/C22H26N2O4/c1-28-20-13-7-17(8-14-20)22(25)15-21(16-5-3-2-4-6-16)23-18-9-11-19(12-10-18)24(26)27/h7-14,16,21,23H,2-6,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human progesterone receptor B expressed in african green monkey CV1 cells co-transfected with MMTV-Luc after 24 hrs by luciferase...


Bioorg Med Chem 18: 4255-68 (2010)


Article DOI: 10.1016/j.bmc.2010.04.092
BindingDB Entry DOI: 10.7270/Q2QN67RQ
More data for this
Ligand-Target Pair