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2 similar compounds to monomer 50065067

Compile data set for download or QSAR
Wt: 627.7
BDBM50065092
Wt: 628.7
BDBM50065061

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50065092,50065061   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50065092
PNG
((4R,5S,6S,7R)-1-(4-Amino-3-pyrazol-1-yl-benzyl)-4,...)
Show SMILES Nc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)cc1-n1cccn1
Show InChI InChI=1S/C37H37N7O3/c38-30-14-12-28(21-32(30)44-17-7-16-40-44)24-43-34(20-26-10-5-2-6-11-26)36(46)35(45)33(19-25-8-3-1-4-9-25)42(37(43)47)23-27-13-15-31-29(18-27)22-39-41-31/h1-18,21-22,33-36,45-46H,19-20,23-24,38H2,(H,39,41)/t33-,34-,35+,36+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0450n/an/an/an/an/an/an/an/a



Dupont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV protease


J Med Chem 41: 2411-23 (1998)


Article DOI: 10.1021/jm980103g
BindingDB Entry DOI: 10.7270/Q2H41QJW
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50065061
PNG
((4R,5S,6S,7R)-1-[4-Amino-3-(1H-[1,2,3]triazol-2-yl...)
Show SMILES Nc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)cc1-n1nccn1
Show InChI InChI=1S/C36H36N8O3/c37-29-13-11-27(20-31(29)44-39-15-16-40-44)23-43-33(19-25-9-5-2-6-10-25)35(46)34(45)32(18-24-7-3-1-4-8-24)42(36(43)47)22-26-12-14-30-28(17-26)21-38-41-30/h1-17,20-21,32-35,45-46H,18-19,22-23,37H2,(H,38,41)/t32-,33-,34+,35+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0590n/an/an/an/an/an/an/an/a



Dupont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV protease


J Med Chem 41: 2411-23 (1998)


Article DOI: 10.1021/jm980103g
BindingDB Entry DOI: 10.7270/Q2H41QJW
More data for this
Ligand-Target Pair