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SMILES: Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)c1cccc(O)c1C

InChI Key: InChIKey=NEFNRKCIJRROFR-FIBWVYCGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121734   
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)		BDBM50121734
PNG
(CHEMBL177917 | KNI-1276 | N-[(S)-3-[N-Benzyl-N'-(3...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)c1cccc(O)c1C
Show InChI InChI=1S/C33H33N3O6/c1-21-25(15-9-17-28(21)37)31(40)34-27(19-23-11-5-3-6-12-23)30(39)33(42)36(20-24-13-7-4-8-14-24)35-32(41)26-16-10-18-29(38)22(26)2/h3-18,27,30,37-39H,19-20H2,1-2H3,(H,34,40)(H,35,41)/t27-,30-/m0/s1
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PC cid
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Similars
PubMed
 15n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HIV-1 protease

Bioorg Med Chem Lett 13: 93-6 (2002)


BindingDB Entry DOI: 10.7270/Q2N29W9D
More data for this
Ligand-Target Pair