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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 = 'BDBM50080116'   
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)		BDBM50080116
PNG
((4R,5S,6S,7R)-1,3-Bis-(3-amino-1H-indazol-5-ylmeth...)
Show SMILES CC(C)(C)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(cc3)C(C)(C)C)N(Cc3ccc4[nH]nc(N)c4c3)C(=O)N2Cc2ccc3[nH]nc(N)c3c2)cc1
Show InChI InChI=1S/C43H52N8O3/c1-42(2,3)29-13-7-25(8-14-29)21-35-37(52)38(53)36(22-26-9-15-30(16-10-26)43(4,5)6)51(24-28-12-18-34-32(20-28)40(45)49-47-34)41(54)50(35)23-27-11-17-33-31(19-27)39(44)48-46-33/h7-20,35-38,52-53H,21-24H2,1-6H3,(H3,44,46,48)(H3,45,47,49)/t35-,36-,37+,38+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.190n/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