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BDBM50514689 CHEMBL4476119

SMILES: FC(F)(F)c1ccnc(\C=C\[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1

InChI Key: InChIKey=QARNMPSHGVOBHU-KKLGXJKSSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50514689   
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)		BDBM50514689
PNG
(CHEMBL4476119)
Show SMILES FC(F)(F)c1ccnc(\C=C\[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1 |r|
Show InChI InChI=1S/C34H32F3N3O3/c35-34(36,37)28-20-21-38-30(23-28)19-18-29(17-16-25-10-4-1-5-11-25)39-32(41)31(22-26-12-6-2-7-13-26)40-33(42)43-24-27-14-8-3-9-15-27/h1-15,18-21,23,29,31H,16-17,22,24H2,(H,39,41)(H,40,42)/b19-18+/t29-,31-/m0/s1
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MMDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
 570n/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