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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leucyl-cystinyl aminopeptidase' and Ligand = 'BDBM50245402'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))		BDBM50245402
PNG
(CHEMBL4074464)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](CC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,THB:21:22:19.20.25:17,21:20:17:23.22.24,15:16:19:23.22.21,24:22:19:25.16.17,24:16:19:23.22.21|
Show InChI InChI=1S/C32H44N3O4P/c33-29(12-11-22-7-3-1-4-8-22)40(38,39)21-27(20-32-17-24-13-25(18-32)15-26(14-24)19-32)31(37)35-28(30(34)36)16-23-9-5-2-6-10-23/h1-10,24-29H,11-21,33H2,(H2,34,36)(H,35,37)(H,38,39)/t24?,25?,26?,27-,28+,29-,32?/m1/s1
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Article
PubMed
n/an/a 46n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of IRAP (unknown origin) expressed in HEK 293S GnTI(-) cells by in vitro fluorimetric assay

J Med Chem 59: 9107-9123 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01031
BindingDB Entry DOI: 10.7270/Q2PK0JJG
More data for this
Ligand-Target Pair