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BDBM50514693 CHEMBL4553115

SMILES: CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(N)=O

InChI Key: InChIKey=YCULQFOXMJEQGK-YNBDVOJHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50514693   
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)		BDBM50514693
PNG
(CHEMBL4553115)
Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(N)=O |r|
Show InChI InChI=1S/C27H35N5O3/c1-31-16-18-32(19-17-31)27(35)30-24(20-22-10-6-3-7-11-22)26(34)29-23(14-15-25(28)33)13-12-21-8-4-2-5-9-21/h2-11,14-15,23-24H,12-13,16-20H2,1H3,(H2,28,33)(H,29,34)(H,30,35)/b15-14+/t23-,24-/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 3.40E+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