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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50481429'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50481429
PNG
(CHEMBL577443)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1cc(cs1)-c1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C42H52N6O5S/c1-42(2,3)47-41(53)36-20-28-14-7-8-15-29(28)23-48(36)24-37(49)34(21-31-19-30(25-54-31)26-11-5-4-6-12-26)45-40(52)35(22-38(43)50)46-39(51)33-18-17-27-13-9-10-16-32(27)44-33/h4-6,9-13,16-19,25,28-29,34-37,49H,7-8,14-15,20-24H2,1-3H3,(H2,43,50)(H,45,52)(H,46,51)(H,47,53)/t28-,29+,34-,35-,36-,37+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Universit£ degli Studi della Basilicata

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluorogenic substrate

J Med Chem 53: 1451-7 (2010)


Article DOI: 10.1021/jm900846f
BindingDB Entry DOI: 10.7270/Q2P271XP
More data for this
Ligand-Target Pair