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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 = 'BDBM50080112'   
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)		BDBM50080112
PNG
((4R,5S,6S,7R)-1,3-Bis-(3-amino-1H-indazol-5-ylmeth...)
Show SMILES Cc1cc(C)cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(C)cc(C)c3)N(Cc3ccc4[nH]nc(N)c4c3)C(=O)N2Cc2ccc3[nH]nc(N)c3c2)c1
Show InChI InChI=1S/C39H44N8O3/c1-21-9-22(2)12-27(11-21)17-33-35(48)36(49)34(18-28-13-23(3)10-24(4)14-28)47(20-26-6-8-32-30(16-26)38(41)45-43-32)39(50)46(33)19-25-5-7-31-29(15-25)37(40)44-42-31/h5-16,33-36,48-49H,17-20H2,1-4H3,(H3,40,42,44)(H3,41,43,45)/t33-,34-,35+,36+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars
PubMed
 0.0670n/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