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SMILES: [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2ccc(cc2)C(F)(F)F)cc1

InChI Key: InChIKey=JEMHPFWVOVZKFL-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 = 50321181   
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))
BDBM50321181
PNG
(CHEMBL1164857 | rac-3-(4-Nitrophenylamino)-1-(4-br...)
Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H16BrF3N2O3/c23-17-7-3-15(4-8-17)21(29)13-20(14-1-5-16(6-2-14)22(24,25)26)27-18-9-11-19(12-10-18)28(30)31/h1-12,20,27H,13H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
66n/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))
BDBM50321181
PNG
(CHEMBL1164857 | rac-3-(4-Nitrophenylamino)-1-(4-br...)
Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H16BrF3N2O3/c23-17-7-3-15(4-8-17)21(29)13-20(14-1-5-16(6-2-14)22(24,25)26)27-18-9-11-19(12-10-18)28(30)31/h1-12,20,27H,13H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/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))
BDBM50321181
PNG
(CHEMBL1164857 | rac-3-(4-Nitrophenylamino)-1-(4-br...)
Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H16BrF3N2O3/c23-17-7-3-15(4-8-17)21(29)13-20(14-1-5-16(6-2-14)22(24,25)26)27-18-9-11-19(12-10-18)28(30)31/h1-12,20,27H,13H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.21E+3n/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))
BDBM50321181
PNG
(CHEMBL1164857 | rac-3-(4-Nitrophenylamino)-1-(4-br...)
Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H16BrF3N2O3/c23-17-7-3-15(4-8-17)21(29)13-20(14-1-5-16(6-2-14)22(24,25)26)27-18-9-11-19(12-10-18)28(30)31/h1-12,20,27H,13H2
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