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BDBM114329 Cyclohexanecarboxylic acid N'-[2-(2-propyl-quinazolin-4-ylsulfanyl)-acetyl]-hydrazide::MLS000556674::N'-[1-oxo-2-[(2-propyl-4-quinazolinyl)thio]ethyl]cyclohexanecarbohydrazide::N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide::N'-[2-(2-propylquinazolin-4-yl)sulfanylethanoyl]cyclohexanecarbohydrazide::N'-[2-[(2-propylquinazolin-4-yl)thio]acetyl]cyclohexanecarbohydrazide::SMR000173429::cid_1442626

SMILES: CCCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1

InChI Key: InChIKey=YAAOJFKWOGDMQD-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 114329   
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
Prion protein


(Homo sapiens (Human))
BDBM114329
PNG
(Cyclohexanecarboxylic acid N'-[2-(2-propyl-qui...)
Show SMILES CCCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1
Show InChI InChI=1S/C20H26N4O2S/c1-2-8-17-21-16-12-7-6-11-15(16)20(22-17)27-13-18(25)23-24-19(26)14-9-4-3-5-10-14/h6-7,11-12,14H,2-5,8-10,13H2,1H3,(H,23,25)(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 896n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair