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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 = 'BDBM50065090'   
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)		BDBM50065090
PNG
(3-[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-3-(1H-...)
Show SMILES Cc1ccc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5[nH]ncc5c4)C3=O)c2)nc1
Show InChI InChI=1S/C41H40N6O4/c1-27-15-18-37(42-23-27)44-40(50)32-14-8-13-30(19-32)25-46-35(21-28-9-4-2-5-10-28)38(48)39(49)36(22-29-11-6-3-7-12-29)47(41(46)51)26-31-16-17-34-33(20-31)24-43-45-34/h2-20,23-24,35-36,38-39,48-49H,21-22,25-26H2,1H3,(H,43,45)(H,42,44,50)/t35-,36-,38+,39+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.0480n/an/an/an/an/an/an/an/a



Dupont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV protease

J Med Chem 41: 2411-23 (1998)


Article DOI: 10.1021/jm980103g
BindingDB Entry DOI: 10.7270/Q2H41QJW
More data for this
Ligand-Target Pair