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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50121730'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50121730
PNG
(CHEMBL366433 | {1-[(S)-3-{N-Benzyl-N'-[2-(2,6-dime...)
Show SMILES CSC[C@H](NC(=O)OCc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)COc1c(C)cccc1C
Show InChI InChI=1S/C42H45N5O7S/c1-28-12-10-13-29(2)39(28)53-26-37(48)46-47(24-31-16-8-5-9-17-31)41(51)38(49)35(22-30-14-6-4-7-15-30)44-40(50)36(27-55-3)45-42(52)54-25-33-19-11-18-32-23-43-21-20-34(32)33/h4-21,23,35-36,38,49H,22,24-27H2,1-3H3,(H,44,50)(H,45,52)(H,46,48)/t35-,36-,38-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
 0.25n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HIV-1 protease

Bioorg Med Chem Lett 13: 93-6 (2002)


BindingDB Entry DOI: 10.7270/Q2N29W9D
More data for this
Ligand-Target Pair