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SMILES: CC(C)CN(C[C@@H](O)[C@@H](NC(=O)O[C@@H]1CCOC1)Sc1ccccc1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=UQLIOXPUOMTMBL-PTUXOGIPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50115672   
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)		BDBM50115672
PNG
(CHEMBL113559 | {3-[(4-Amino-benzenesulfonyl)-isobu...)
Show SMILES CC(C)CN(C[C@@H](O)[C@@H](NC(=O)O[C@@H]1CCOC1)Sc1ccccc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C24H33N3O6S2/c1-17(2)14-27(35(30,31)21-10-8-18(25)9-11-21)15-22(28)23(34-20-6-4-3-5-7-20)26-24(29)33-19-12-13-32-16-19/h3-11,17,19,22-23,28H,12-16,25H2,1-2H3,(H,26,29)/t19-,22-,23+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.67E+4n/an/an/an/an/an/a



Université de la Méditerranée

Curated by ChEMBL


Assay Description
Concentration required to inhibit HIV-1 protease cleavage by 50%.

J Med Chem 45: 3321-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VQ3211
More data for this
Ligand-Target Pair