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SMILES: CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2c3CCCc3nc3ccccc23)c1

InChI Key: InChIKey=NUZOBJNMJBWZRT-UHFFFAOYSA-N

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 = 50318   
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
Core protein


(Hepatitis C virus)		BDBM50318
PNG
(MLS000409344 | N-[5-(diethylsulfamoyl)-2-(4-morpho...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2c3CCCc3nc3ccccc23)c1
Show InChI InChI=1S/C27H32N4O4S/c1-3-31(4-2)36(33,34)19-12-13-25(30-14-16-35-17-15-30)24(18-19)29-27(32)26-20-8-5-6-10-22(20)28-23-11-7-9-21(23)26/h5-6,8,10,12-13,18H,3-4,7,9,11,14-17H2,1-2H3,(H,29,32)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a>4.98E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50318
PNG
(MLS000409344 | N-[5-(diethylsulfamoyl)-2-(4-morpho...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2c3CCCc3nc3ccccc23)c1
Show InChI InChI=1S/C27H32N4O4S/c1-3-31(4-2)36(33,34)19-12-13-25(30-14-16-35-17-15-30)24(18-19)29-27(32)26-20-8-5-6-10-22(20)28-23-11-7-9-21(23)26/h5-6,8,10,12-13,18H,3-4,7,9,11,14-17H2,1-2H3,(H,29,32)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 5.07E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair