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SMILES: CCn1c2ccccc2c2cc(\C=C\c3ccc4ccccc4[n+]3CCCCCC(=O)NCCN)ccc12

InChI Key: InChIKey=YKGUPNARMCTTAR-UHFFFAOYSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 93332   
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
Chymotrypsin-C


(Homo sapiens (Human))		BDBM93332
PNG
(QN-33)
Show SMILES CCn1c2ccccc2c2cc(\C=C\c3ccc4ccccc4[n+]3CCCCCC(=O)NCCN)ccc12
Show InChI InChI=1S/C33H36N4O/c1-2-36-31-13-8-6-11-28(31)29-24-25(16-20-32(29)36)15-18-27-19-17-26-10-5-7-12-30(26)37(27)23-9-3-4-14-33(38)35-22-21-34/h5-8,10-13,15-20,24H,2-4,9,14,21-23,34H2,1H3/p+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.53E+4n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.

J Comb Chem 10: 460-5 (2008)


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair