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BDBM50514685 CHEMBL4533125

SMILES: COc1ccnc(\C=C\[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1

InChI Key: InChIKey=JMRMIWJJXJFXPZ-LKPJRBBTSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50514685   
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
Cruzipain


(Trypanosoma cruzi)		BDBM50514685
PNG
(CHEMBL4533125)
Show SMILES COc1ccnc(\C=C\[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1 |r|
Show InChI InChI=1S/C34H35N3O4/c1-40-31-21-22-35-30(24-31)20-19-29(18-17-26-11-5-2-6-12-26)36-33(38)32(23-27-13-7-3-8-14-27)37-34(39)41-25-28-15-9-4-10-16-28/h2-16,19-22,24,29,32H,17-18,23,25H2,1H3,(H,36,38)(H,37,39)/b20-19+/t29-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as rate constant for enzyme-inhibitor complex using Cbz-Phe-Arg-AMC as substrate and measured up to ...

J Med Chem 63: 3298-3316 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02078
More data for this
Ligand-Target Pair