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SMILES: Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]nc(-c5cccc(N)c5)c4c3)C2=O)c1

InChI Key: InChIKey=VMOXIVNTBGBVFS-DDLQZHSQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50082400   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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)		BDBM50082400
PNG
((4R,5S,6S,7R)-1-(3-Amino-benzyl)-3-[3-(3-amino-phe...)
Show SMILES Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]nc(-c5cccc(N)c5)c4c3)C2=O)c1
Show InChI InChI=1S/C40H40N6O3/c41-31-15-7-13-28(19-31)24-45-35(21-26-9-3-1-4-10-26)38(47)39(48)36(22-27-11-5-2-6-12-27)46(40(45)49)25-29-17-18-34-33(20-29)37(44-43-34)30-14-8-16-32(42)23-30/h1-20,23,35-36,38-39,47-48H,21-22,24-25,41-42H2,(H,43,44)/t35-,36-,38+,39+/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars
PubMed
 0.0900n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for HIV -1 Protease

Bioorg Med Chem Lett 9: 3217-20 (1999)


BindingDB Entry DOI: 10.7270/Q2B27TG8
More data for this
Ligand-Target Pair