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2 similar compounds to monomer 22

Compile data set for download or QSAR
Wt: 486.6
BDBM23

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 23   
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)
BDBM23
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopropylmethyl)-5...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=O)N(C\C=C\c2cn[nH]c2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C29H34N4O3/c34-27-25(16-21-8-3-1-4-9-21)32(15-7-12-24-18-30-31-19-24)29(36)33(20-23-13-14-23)26(28(27)35)17-22-10-5-2-6-11-22/h1-12,18-19,23,25-28,34-35H,13-17,20H2,(H,30,31)/b12-7+/t25-,26-,27+,28+/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
0.410n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards HIV-Protease enzyme.


Bioorg Med Chem Lett 6: 797-802 (1996)


Article DOI: 10.1016/0960-894X(96)00108-4
BindingDB Entry DOI: 10.7270/Q2N879SZ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM23
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopropylmethyl)-5...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=O)N(C\C=C\c2cn[nH]c2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C29H34N4O3/c34-27-25(16-21-8-3-1-4-9-21)32(15-7-12-24-18-30-31-19-24)29(36)33(20-23-13-14-23)26(28(27)35)17-22-10-5-2-6-11-22/h1-12,18-19,23,25-28,34-35H,13-17,20H2,(H,30,31)/b12-7+/t25-,26-,27+,28+/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.410 -13.3n/an/an/an/an/a5.537



DuPont Merck Pharmaceutical Company



Assay Description
Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...


J Med Chem 39: 3514-25 (1996)


Article DOI: 10.1021/jm9602571
BindingDB Entry DOI: 10.7270/Q2ZW1J3M
More data for this
Ligand-Target Pair