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SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=QDRQEEPEBNONJL-KQZFZZGISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50285963   
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)		BDBM50285963
PNG
(CHEMBL99875 | [(1S,2R)-1-Benzyl-3-((3aR,6S,7aS)-6-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H41N3O4S/c1-30(2,3)32-28(35)25-17-27-23(14-15-38-27)18-33(25)19-26(34)24(16-21-10-6-4-7-11-21)31-29(36)37-20-22-12-8-5-9-13-22/h4-13,23-27,34H,14-20H2,1-3H3,(H,31,36)(H,32,35)/t23-,24+,25+,26-,27+/m1/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
n/an/a 6.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against HIV-1 protease

Bioorg Med Chem Lett 5: 2885-2890 (1995)


Article DOI: 10.1016/0960-894X(95)00506-O
BindingDB Entry DOI: 10.7270/Q2930T45
More data for this
Ligand-Target Pair