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BDBM50252177 CHEMBL481107::N-[4-[(4-Fluorobenzyl)(4-nitrophenyl)amino]-1-methylpyrrole-2-carbonyl]pyrrolidine

SMILES: Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(F)cc1)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=SOIPUKRJUHBHBK-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50252177   
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))
BDBM50252177
PNG
(CHEMBL481107 | N-[4-[(4-Fluorobenzyl)(4-nitropheny...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(F)cc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23FN4O3/c1-25-16-21(14-22(25)23(29)26-12-2-3-13-26)27(15-17-4-6-18(24)7-5-17)19-8-10-20(11-9-19)28(30)31/h4-11,14,16H,2-3,12-13,15H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
800n/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))
BDBM50252177
PNG
(CHEMBL481107 | N-[4-[(4-Fluorobenzyl)(4-nitropheny...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(F)cc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23FN4O3/c1-25-16-21(14-22(25)23(29)26-12-2-3-13-26)27(15-17-4-6-18(24)7-5-17)19-8-10-20(11-9-19)28(30)31/h4-11,14,16H,2-3,12-13,15H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.00E+3n/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