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SMILES: CCCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCC)C(C)(C)S1

InChI Key: InChIKey=MEUDPIAUJMKMCM-HHJPVQDRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50281566   
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)		BDBM50281566
PNG
(1N-propyl-2-benzylcarboxamido-2-[4-[2-[2-benzylcar...)
Show SMILES CCCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCC)C(C)(C)S1
Show InChI InChI=1S/C41H60N8O6S2/c1-9-21-43-35(53)31(45-29(51)25-27-19-15-12-16-20-27)37-47-33(41(5,6)57-37)39(55)49(8)23-22-48(7)38(54)32-40(3,4)56-36(46-32)30(34(52)42-10-2)44-28(50)24-26-17-13-11-14-18-26/h11-20,30-33,36-37,46-47H,9-10,21-25H2,1-8H3,(H,42,52)(H,43,53)(H,44,50)(H,45,51)/t30-,31-,32+,33+,36-,37-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars
Article
n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against HIV-1 Proteinase activity

Bioorg Med Chem Lett 3: 503-508 (1993)


Article DOI: 10.1016/S0960-894X(01)81216-6
BindingDB Entry DOI: 10.7270/Q2GH9HXV
More data for this
Ligand-Target Pair