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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 protease' and Ligand = 'BDBM50041153'   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50041153
PNG
(CHEMBL278413 | N-((1S,2S)-1-Benzyl-2-hydroxy-4-{[(...)
Show SMILES Cc1cccc(c1)C(NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccc2ccccc2n1)C(O)=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C42H41N5O6/c1-26-10-9-15-30(22-26)40(35-24-29-14-6-8-17-32(29)44-35)47-38(49)21-20-37(48)34(23-27-11-3-2-4-12-27)45-39(50)25-36(42(52)53)46-41(51)33-19-18-28-13-5-7-16-31(28)43-33/h2-19,22,24,34,36-37,40,44,48H,20-21,23,25H2,1H3,(H,45,50)(H,46,51)(H,47,49)(H,52,53)/t34-,36?,37-,40?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
39n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HIV -1 protease


J Med Chem 37: 1145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2TM795W
More data for this
Ligand-Target Pair