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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 = 'BDBM50080117'   
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)		BDBM50080117
PNG
((4R,5S,6S,7R)-1,3-Bis-(3-amino-1H-indazol-5-ylmeth...)
Show SMILES Cc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(C)c3)N(Cc3ccc4[nH]nc(N)c4c3)C(=O)N2Cc2ccc3[nH]nc(N)c3c2)c1
Show InChI InChI=1S/C37H40N8O3/c1-21-5-3-7-23(13-21)17-31-33(46)34(47)32(18-24-8-4-6-22(2)14-24)45(20-26-10-12-30-28(16-26)36(39)43-41-30)37(48)44(31)19-25-9-11-29-27(15-25)35(38)42-40-29/h3-16,31-34,46-47H,17-20H2,1-2H3,(H3,38,40,42)(H3,39,41,43)/t31-,32-,33+,34+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars
PubMed
 0.0110n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for HIV protease

Bioorg Med Chem Lett 9: 2259-62 (1999)


BindingDB Entry DOI: 10.7270/Q20864H1
More data for this
Ligand-Target Pair