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BDBM50514688 CHEMBL4590860

SMILES: [O-][N+](=O)c1ccc(\C=C\[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1

InChI Key: InChIKey=VICYRHHEPALLBZ-RHIJFGJISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50514688   
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)		BDBM50514688
PNG
(CHEMBL4590860)
Show SMILES [O-][N+](=O)c1ccc(\C=C\[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C33H31N3O5/c37-32(31(23-27-12-6-2-7-13-27)35-33(38)41-24-28-14-8-3-9-15-28)34-29(22-26-10-4-1-5-11-26)19-16-25-17-20-30(21-18-25)36(39)40/h1-21,29,31H,22-24H2,(H,34,37)(H,35,38)/b19-16+/t29-,31+/m1/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
 370n/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-substrate complex using Cbz-Phe-Arg-AMC as substrate measured ...

J Med Chem 63: 3298-3316 (2020)


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