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BDBM50484745 CHEMBL1955878

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccsc1)NC(=O)O[C@H]1CCOC1

InChI Key: InChIKey=HUQLSAAHHJKBQN-PIZZNKLWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484745   
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))		BDBM50484745
PNG
(CHEMBL1955878)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccsc1)NC(=O)O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C30H38N2O7S2/c1-21(2)17-32(41(35,36)27-10-8-25(37-3)9-11-27)18-29(33)28(31-30(34)39-26-12-14-38-19-26)16-22-4-6-23(7-5-22)24-13-15-40-20-24/h4-11,13,15,20-21,26,28-29,33H,12,14,16-19H2,1-3H3,(H,31,34)/t26-,28-,29+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 3.5n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis

Bioorg Med Chem Lett 22: 1976-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.037
BindingDB Entry DOI: 10.7270/Q2V69ND3
More data for this
Ligand-Target Pair