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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 = 'BDBM50090147'   
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)		BDBM50090147
PNG
((S)-4-(3,4-Dichloro-benzyl)-1-[(2S,4R)-2-hydroxy-4...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C37H46Cl2N4O4/c1-37(2,3)41-36(47)32-23-42(21-25-13-14-30(38)31(39)18-25)15-16-43(32)22-28(44)19-27(17-24-9-5-4-6-10-24)35(46)40-34-29-12-8-7-11-26(29)20-33(34)45/h4-14,18,27-28,32-34,44-45H,15-17,19-23H2,1-3H3,(H,40,46)(H,41,47)/t27-,28+,32+,33-,34+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound to prevent cleavage of a substrate by the protease enzyme

Bioorg Med Chem Lett 10: 1527-30 (2000)


BindingDB Entry DOI: 10.7270/Q2542MTH
More data for this
Ligand-Target Pair