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BDBM50121297 2-[2-(2-Biphenyl-4-yl-acetylamino)-3-mercapto-propionylamino]-5-guanidino-pentanoic acid (4-guanidino-1-phenethylcarbamoyl-butyl)-amide::CHEMBL150750

SMILES: NC(=N)NCCCC(NC(=O)C(CCCNC(N)=N)NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NCCc1ccccc1

InChI Key: InChIKey=CMXWLTUCWOXICO-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121297   
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
Cathepsin L1


(Homo sapiens (Human))
BDBM50121297
PNG
(2-[2-(2-Biphenyl-4-yl-acetylamino)-3-mercapto-prop...)
Show SMILES NC(=N)NCCCC(NC(=O)C(CCCNC(N)=N)NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C37H50N10O4S/c38-36(39)43-20-7-13-29(33(49)42-22-19-25-9-3-1-4-10-25)46-34(50)30(14-8-21-44-37(40)41)47-35(51)31(24-52)45-32(48)23-26-15-17-28(18-16-26)27-11-5-2-6-12-27/h1-6,9-12,15-18,29-31,52H,7-8,13-14,19-24H2,(H,42,49)(H,45,48)(H,46,50)(H,47,51)(H4,38,39,43)(H4,40,41,44)
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



National Research Council of Canada

Curated by ChEMBL


Assay Description
Inhibitory activity against human Cathepsin L


J Med Chem 45: 5321-9 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZH6
More data for this
Ligand-Target Pair