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BDBM50498324 CHEMBL3581666

SMILES: [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1cccc(c1)-c1cc(OC)cc(OC)c1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1

InChI Key: InChIKey=FPZLJQQCMTWZII-PYWJFMQWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50498324   
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
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498324
PNG
(CHEMBL3581666)
Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1cccc(c1)-c1cc(OC)cc(OC)c1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C36H46N2O10S/c1-23(2)20-38(49(41,42)30-11-9-27(43-3)10-12-30)21-33(39)32(37-36(40)48-34-22-47-35-31(34)13-14-46-35)16-24-7-6-8-25(15-24)26-17-28(44-4)19-29(18-26)45-5/h6-12,15,17-19,23,31-35,39H,13-14,16,20-22H2,1-5H3,(H,37,40)/t31-,32-,33+,34-,35+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.0140n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 protease

J Med Chem 58: 5334-43 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00676
BindingDB Entry DOI: 10.7270/Q2KK9FT9
More data for this
Ligand-Target Pair