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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 4156   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM4156
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccc(C)c(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1
Show InChI InChI=1S/C29H38ClN3O5/c1-16-7-10-19(11-8-16)13-22(31-26(36)21-12-9-17(2)24(34)18(21)3)25(35)28(38)33-15-20(30)14-23(33)27(37)32-29(4,5)6/h7-12,20,22-23,25,34-35H,13-15H2,1-6H3,(H,31,36)(H,32,37)/t20-,22-,23-,25-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 45: 333-43 (2002)


Article DOI: 10.1021/jm0102710
BindingDB Entry DOI: 10.7270/Q20K27VB
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4156
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccc(C)c(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1
Show InChI InChI=1S/C29H38ClN3O5/c1-16-7-10-19(11-8-16)13-22(31-26(36)21-12-9-17(2)24(34)18(21)3)25(35)28(38)33-15-20(30)14-23(33)27(37)32-29(4,5)6/h7-12,20,22-23,25,34-35H,13-15H2,1-6H3,(H,31,36)(H,32,37)/t20-,22-,23-,25-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60n/an/an/an/an/an/a



Sankyo Co., Ltd



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair