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SMILES: Cc1nc(c(C)s1)S(=O)(=O)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C

InChI Key: InChIKey=AZMMWXVEVKAJAZ-ROFASSETSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037528   
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)		BDBM50037528
PNG
((S)-4-(2,5-Dimethyl-thiazole-4-sulfonyl)-1-[(2S,4R...)
Show SMILES Cc1nc(c(C)s1)S(=O)(=O)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C35H47N5O6S2/c1-22-34(36-23(2)47-22)48(45,46)40-16-15-39(29(21-40)33(44)38-35(3,4)5)20-27(41)18-26(17-24-11-7-6-8-12-24)32(43)37-31-28-14-10-9-13-25(28)19-30(31)42/h6-14,26-27,29-31,41-42H,15-21H2,1-5H3,(H,37,43)(H,38,44)/t26-,27+,29+,30-,31?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of HIV protease

J Med Chem 37: 3443-51 (1994)


BindingDB Entry DOI: 10.7270/Q24J0D5K
More data for this
Ligand-Target Pair