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BDBM50063032 ((1S,3S,4S)-1-Benzyl-4-{3-[3-cyclopropyl-3-(2-isopropyl-thiazol-4-ylmethyl)-ureido]-propionylamino}-3-hydroxy-5-phenyl-pentyl)-carbamic acid thiazol-5-ylmethyl ester::CHEMBL158358

SMILES: CC(C)c1nc(CN(C2CC2)C(=O)NCCC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)cs1

InChI Key: InChIKey=MNDNWXNRVPYSDS-RMFXYIPJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50063032   
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)
BDBM50063032
PNG
(((1S,3S,4S)-1-Benzyl-4-{3-[3-cyclopropyl-3-(2-isop...)
Show SMILES CC(C)c1nc(CN(C2CC2)C(=O)NCCC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)cs1
Show InChI InChI=1S/C37H46N6O5S2/c1-25(2)35-40-29(23-49-35)21-43(30-13-14-30)36(46)39-16-15-34(45)42-32(18-27-11-7-4-8-12-27)33(44)19-28(17-26-9-5-3-6-10-26)41-37(47)48-22-31-20-38-24-50-31/h3-12,20,23-25,28,30,32-33,44H,13-19,21-22H2,1-2H3,(H,39,46)(H,41,47)(H,42,45)/t28-,32-,33-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against purified recombinant HIV-1 protease using fluorogenic substrate


J Med Chem 41: 602-17 (1998)


Article DOI: 10.1021/jm970636+
BindingDB Entry DOI: 10.7270/Q2N58KGK
More data for this
Ligand-Target Pair