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BDBM95526 4-[2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]ethanoylamino]benzamide::4-[[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxoethyl]amino]benzamide::4-[[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide::4-[[2-[[2-keto-2-(o-toluidino)ethyl]-propyl-amino]acetyl]amino]benzamide::MLS000878101::SMR000376995::cid_2522096

SMILES: CCCN(CC(=O)Nc1ccc(cc1)C(N)=O)CC(=O)Nc1ccccc1C

InChI Key: InChIKey=HRBOJGRWNSVKLG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95526   
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
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95526
PNG
(4-[2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-e...)
Show SMILES CCCN(CC(=O)Nc1ccc(cc1)C(N)=O)CC(=O)Nc1ccccc1C
Show InChI InChI=1S/C21H26N4O3/c1-3-12-25(14-20(27)24-18-7-5-4-6-15(18)2)13-19(26)23-17-10-8-16(9-11-17)21(22)28/h4-11H,3,12-14H2,1-2H3,(H2,22,28)(H,23,26)(H,24,27)
PDB
MMDB

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PC sid
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Similars

PCBioAssay
n/an/a 5.11E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair