BindingDB logo
myBDB logout

BDBM31354 3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroanilino)-1-propanone::3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroanilino)propan-1-one::3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-[(4-nitrophenyl)amino]-1-propanone::3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-[(4-nitrophenyl)amino]propan-1-one::3-(4-methoxyphenyl)-3-(4-nitroanilino)-1-(p-tolyl)propan-1-one::MLS000583267::SMR000201103::cid_2971621

SMILES: COc1ccc(cc1)C(CC(=O)c1ccc(C)cc1)Nc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=AZIQFIZOMWOWDB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 31354   
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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM31354
PNG
(3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroa...)
Show SMILES COc1ccc(cc1)C(CC(=O)c1ccc(C)cc1)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H22N2O4/c1-16-3-5-18(6-4-16)23(26)15-22(17-7-13-21(29-2)14-8-17)24-19-9-11-20(12-10-19)25(27)28/h3-14,22,24H,15H2,1-2H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 flasks at 37 degrees C and 95% relative humidity (RH). The growth media consisted of Dulbecco's Modified ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FQ9TZS
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM31354
PNG
(3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroa...)
Show SMILES COc1ccc(cc1)C(CC(=O)c1ccc(C)cc1)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H22N2O4/c1-16-3-5-18(6-4-16)23(26)15-22(17-7-13-21(29-2)14-8-17)24-19-9-11-20(12-10-19)25(27)28/h3-14,22,24H,15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q21J98DJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM31354
PNG
(3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroa...)
Show SMILES COc1ccc(cc1)C(CC(=O)c1ccc(C)cc1)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H22N2O4/c1-16-3-5-18(6-4-16)23(26)15-22(17-7-13-21(29-2)14-8-17)24-19-9-11-20(12-10-19)25(27)28/h3-14,22,24H,15H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.68E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31354
PNG
(3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroa...)
Show SMILES COc1ccc(cc1)C(CC(=O)c1ccc(C)cc1)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H22N2O4/c1-16-3-5-18(6-4-16)23(26)15-22(17-7-13-21(29-2)14-8-17)24-19-9-11-20(12-10-19)25(27)28/h3-14,22,24H,15H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q228061X
More data for this
Ligand-Target Pair