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BDBM50139463 (S)-2-((S)-1-Mercaptomethyl-2-phenyl-ethylcarbamoyl)-pyrrolidine-1-carboxylic acid benzyl ester::CHEMBL348830

SMILES: SC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

InChI Key: InChIKey=JBOIWHYIZJJDLX-PMACEKPBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50139463   
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
Beta-chymotrypsin


(Homo sapiens (Human))		BDBM50139463
PNG
((S)-2-((S)-1-Mercaptomethyl-2-phenyl-ethylcarbamoy...)
Show SMILES SC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H26N2O3S/c25-21(23-19(16-28)14-17-8-3-1-4-9-17)20-12-7-13-24(20)22(26)27-15-18-10-5-2-6-11-18/h1-6,8-11,19-20,28H,7,12-16H2,(H,23,25)/t19-,20-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against chymotrypsinogen in the presence of Zn(II) (500 microM)

Bioorg Med Chem Lett 14: 701-5 (2004)


BindingDB Entry DOI: 10.7270/Q2VM4BP6
More data for this
Ligand-Target Pair