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BDBM50252330 CHEMBL521251::Ethyl 4-[(benzyl)(4-nitrophenyl)amino]-1-methylpyrrole-2-carboxylate

SMILES: CCOC(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=WISGRSKPLFFILZ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50252330   
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
Androgen Receptor


(Homo sapiens (Human))
BDBM50252330
PNG
(CHEMBL521251 | Ethyl 4-[(benzyl)(4-nitrophenyl)ami...)
Show SMILES CCOC(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H21N3O4/c1-3-28-21(25)20-13-19(15-22(20)2)23(14-16-7-5-4-6-8-16)17-9-11-18(12-10-17)24(26)27/h4-13,15H,3,14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
180n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252330
PNG
(CHEMBL521251 | Ethyl 4-[(benzyl)(4-nitrophenyl)ami...)
Show SMILES CCOC(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H21N3O4/c1-3-28-21(25)20-13-19(15-22(20)2)23(14-16-7-5-4-6-8-16)17-9-11-18(12-10-17)24(26)27/h4-13,15H,3,14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 950n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair