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BDBM50288356 CHEMBL4168317

SMILES: [H][C@@](NC(=O)COc1cccc(c1)N(C)C)(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=BLXQQISIZWRGMA-QSTCLUMXSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50288356   
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))		BDBM50288356
PNG
(CHEMBL4168317)
Show SMILES [H][C@@](NC(=O)COc1cccc(c1)N(C)C)(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/C41H53N5O7S/c1-26-12-10-13-27(2)32(26)22-42-39(50)37-41(3,4)54-25-46(37)40(51)36(48)33(20-28-14-8-7-9-15-28)43-38(49)35(29-18-19-52-23-29)44-34(47)24-53-31-17-11-16-30(21-31)45(5)6/h7-17,21,29,33,35-37,48H,18-20,22-25H2,1-6H3,(H,42,50)(H,43,49)(H,44,47)/t29-,33-,35-,36-,37+/m0/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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Similars
Article
PubMed
n/an/an/an/a 165n/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