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BDBM50036261 (S)-N*1*-{(1S,2R)-3-[Benzenesulfonyl-(3-methyl-butyl)-amino]-1-benzyl-2-hydroxy-propyl}-2-[(quinoline-2-carbonyl)-amino]-succinamide::CHEMBL351726

SMILES: CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=NRYPFPIXIULNBI-OWHBQTKESA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50036261   
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)
BDBM50036261
PNG
((S)-N*1*-{(1S,2R)-3-[Benzenesulfonyl-(3-methyl-but...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C35H41N5O6S/c1-24(2)19-20-40(47(45,46)27-14-7-4-8-15-27)23-32(41)30(21-25-11-5-3-6-12-25)38-35(44)31(22-33(36)42)39-34(43)29-18-17-26-13-9-10-16-28(26)37-29/h3-18,24,30-32,41H,19-23H2,1-2H3,(H2,36,42)(H,38,44)(H,39,43)/t30-,31-,32+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1n/an/an/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity of the compound for HIV-1 protease was determined in vitro


J Med Chem 38: 581-4 (1995)


BindingDB Entry DOI: 10.7270/Q2SF2V61
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50036261
PNG
((S)-N*1*-{(1S,2R)-3-[Benzenesulfonyl-(3-methyl-but...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C35H41N5O6S/c1-24(2)19-20-40(47(45,46)27-14-7-4-8-15-27)23-32(41)30(21-25-11-5-3-6-12-25)38-35(44)31(22-33(36)42)39-34(43)29-18-17-26-13-9-10-16-28(26)37-29/h3-18,24,30-32,41H,19-23H2,1-2H3,(H2,36,42)(H,38,44)(H,39,43)/t30-,31-,32+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.5n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit HIV-1 protease was determined using spectrofluorometric assay


J Med Chem 38: 581-4 (1995)


BindingDB Entry DOI: 10.7270/Q2SF2V61
More data for this
Ligand-Target Pair