BindingDB logo
myBDB logout

BDBM913 (2S)-N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[1H-indol-2-yl(phenyl)methyl]carbamoyl}-1-phenylpentan-2-yl]-2-(quinolin-2-ylformamido)butanediamide::2 -Benzyl-4-h ydrox y -5((N -2-quinaloyl-L-asparagyl)amidno)-6-phenylhexanoic Acid (a-(2-indolylbenzyl)amide::C-terminal inhibitor 10

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

InChI Key: InChIKey=JOKQULWPZKSZPG-LIAXPETASA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 913   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)		BDBM913
PNG
((2S)-N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[1H-indol...)
Show SMILES NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC(c1cc2ccccc2[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C48H46N6O5/c49-44(56)30-42(53-47(58)39-25-24-33-18-10-12-22-37(33)50-39)48(59)52-40(27-32-16-6-2-7-17-32)43(55)29-36(26-31-14-4-1-5-15-31)46(57)54-45(34-19-8-3-9-20-34)41-28-35-21-11-13-23-38(35)51-41/h1-25,28,36,40,42-43,45,51,55H,26-27,29-30H2,(H2,49,56)(H,52,59)(H,53,58)(H,54,57)/t36-,40+,42+,43+,45?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.28E+3 -8.36n/an/an/an/an/a5.537



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 37: 2274-84 (1994)


Article DOI: 10.1021/jm00041a005
BindingDB Entry DOI: 10.7270/Q29021XP
More data for this
Ligand-Target Pair