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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 = 'BDBM50116916'   
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)		BDBM50116916
PNG
((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)c1cccnc1
Show InChI InChI=1S/C38H51N5O4/c1-37(2,3)41-36(47)32-25-43(38(4,5)29-15-11-17-39-23-29)19-18-42(32)24-30(44)21-28(20-26-12-7-6-8-13-26)35(46)40-34-31-16-10-9-14-27(31)22-33(34)45/h6-17,23,28,30,32-34,44-45H,18-22,24-25H2,1-5H3,(H,40,46)(H,41,47)/t28-,30+,32+,33-,34+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit cleavage of a substrate by the wild-type HIV-1 Protease

Bioorg Med Chem Lett 12: 2419-22 (2002)


BindingDB Entry DOI: 10.7270/Q2PV6JQR
More data for this
Ligand-Target Pair