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BDBM50041152 CHEMBL278745::N-((1S,2S)-1-Benzyl-2-hydroxy-4-{[(1H-indol-2-yl)-phenyl-methyl]-carbamoyl}-butyl)-2-[(quinoline-2-carbonyl)-amino]-succinamic acid

SMILES: O[C@@H](CCC(=O)NC(c1cc2ccccc2[nH]1)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccc2ccccc2n1)C(O)=O

InChI Key: InChIKey=QGVRHUVGSKYQFD-WBVSTNBOSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50041152   
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)
BDBM50041152
PNG
(CHEMBL278745 | N-((1S,2S)-1-Benzyl-2-hydroxy-4-{[(...)
Show SMILES O[C@@H](CCC(=O)NC(c1cc2ccccc2[nH]1)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccc2ccccc2n1)C(O)=O
Show InChI InChI=1S/C41H39N5O6/c47-36(21-22-37(48)46-39(28-14-5-2-6-15-28)34-24-29-16-8-10-18-31(29)43-34)33(23-26-11-3-1-4-12-26)44-38(49)25-35(41(51)52)45-40(50)32-20-19-27-13-7-9-17-30(27)42-32/h1-20,24,33,35-36,39,43,47H,21-23,25H2,(H,44,49)(H,45,50)(H,46,48)(H,51,52)/t33-,35?,36-,39?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
200n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HIV -1 protease


J Med Chem 37: 1145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2TM795W
More data for this
Ligand-Target Pair