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BDBM75104 7-Methyl-2-[4-(3,4,5-trimethoxy-benzoyl)-[1,4]diazepan-1-yl]-quinoline-3-carbonitrile::7-methyl-2-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile::7-methyl-2-[4-(3,4,5-trimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]quinoline-3-carbonitrile::7-methyl-2-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-quinolinecarbonitrile::MLS000881240::SMR000006851::cid_646289

SMILES: COc1cc(cc(OC)c1OC)C(=O)N1CCCN(CC1)c1nc2cc(C)ccc2cc1C#N

InChI Key: InChIKey=SIMKLDFYMJOQMU-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 75104   
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
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))		BDBM75104
PNG
(7-Methyl-2-[4-(3,4,5-trimethoxy-benzoyl)-[1,4]diaz...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCCN(CC1)c1nc2cc(C)ccc2cc1C#N
Show InChI InChI=1S/C26H28N4O4/c1-17-6-7-18-13-20(16-27)25(28-21(18)12-17)29-8-5-9-30(11-10-29)26(31)19-14-22(32-2)24(34-4)23(15-19)33-3/h6-7,12-15H,5,8-11H2,1-4H3
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Similars
PCBioAssay
n/an/an/an/a 1.54E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair