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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 = 'BDBM50368417'   
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)
BDBM50368417
PNG
(CHEMBL1790887 | CHEMBL3349497)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C42H69N7O10/c1-11-26(6)35(39(55)47-34(25(4)5)40(56)58-10)48-38(54)31-18-15-19-49(31)23-32(50)28(21-27-16-13-12-14-17-27)44-37(53)30(22-33(43)51)45-36(52)29(20-24(2)3)46-41(57)59-42(7,8)9/h12-14,16-17,24-26,28-32,34-35,50H,11,15,18-23H2,1-10H3,(H2,43,51)(H,44,53)(H,45,52)(H,46,57)(H,47,55)(H,48,54)/t26-,28+,29+,30+,31?,32-,34+,35+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
66n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair