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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 = 'BDBM50368414'   
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)
BDBM50368414
PNG
(CHEMBL1790867 | CHEMBL3349478)
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](Cc1c(I)cc(O)cc1I)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C45H65I2N7O11/c1-9-25(4)38(42(61)52-37(24(2)3)43(62)64-8)53-41(60)34-16-13-17-54(34)23-35(56)31(18-26-14-11-10-12-15-26)49-40(59)33(22-36(48)57)50-39(58)32(51-44(63)65-45(5,6)7)21-28-29(46)19-27(55)20-30(28)47/h10-12,14-15,19-20,24-25,31-35,37-38,55-56H,9,13,16-18,21-23H2,1-8H3,(H2,48,57)(H,49,59)(H,50,58)(H,51,63)(H,52,61)(H,53,60)/t25-,31+,32+,33+,34?,35-,37+,38+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
131n/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