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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50288365'   
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
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50288365
PNG
(CHEMBL4165197)
Show SMILES COc1cccc2cc(oc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1c(C)cccc1C |r|
Show InChI InChI=1S/C40H48N4O7S/c1-23(2)32(43-36(46)31-20-27-17-12-18-30(50-7)34(27)51-31)37(47)42-29(19-26-15-9-8-10-16-26)33(45)39(49)44-22-52-40(5,6)35(44)38(48)41-21-28-24(3)13-11-14-25(28)4/h8-18,20,23,29,32-33,35,45H,19,21-22H2,1-7H3,(H,41,48)(H,42,47)(H,43,46)/t29-,32-,33-,35+/m0/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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Similars
Article
PubMed
n/an/an/an/a 309n/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of protease L10F/V32I/M46I/I47V/Q58E/I84V mutant in HIV1 A17 infected in human MT4 cells assessed as reduction in virus-induced cytopathic...

J Med Chem 61: 5138-5153 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01709
BindingDB Entry DOI: 10.7270/Q2T15651
More data for this
Ligand-Target Pair