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BDBM50288362 CHEMBL4160405

SMILES: [H][C@@](NC(=O)COc1cccc(Nc2ccccc2)c1)(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1c(C)cccc1C)[C@@]1([H])CCOC1

InChI Key: InChIKey=HLPSKJUYOCQELH-YGVILMIPSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50288362   
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))		BDBM50288362
PNG
(CHEMBL4160405)
Show SMILES [H][C@@](NC(=O)COc1cccc(Nc2ccccc2)c1)(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1c(C)cccc1C)[C@@]1([H])CCOC1 |r|
Show InChI InChI=1S/C45H53N5O7S/c1-29-13-11-14-30(2)36(29)25-46-43(54)41-45(3,4)58-28-50(41)44(55)40(52)37(23-31-15-7-5-8-16-31)48-42(53)39(32-21-22-56-26-32)49-38(51)27-57-35-20-12-19-34(24-35)47-33-17-9-6-10-18-33/h5-20,24,32,37,39-41,47,52H,21-23,25-28H2,1-4H3,(H,46,54)(H,48,53)(H,49,51)/t32-,37-,39-,40-,41+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/an/an/a 226n/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of protease L10F/V32I/M46I/I47V/Q58E/I84V mutant in HIV1 A17 infected in human MT4 cells assessed as reduction in virus-induced cytopathic...

J Med Chem 61: 5138-5153 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01709
BindingDB Entry DOI: 10.7270/Q2T15651
More data for this
Ligand-Target Pair