BindingDB logo
myBDB logout

BDBM1235 (Hydroxyethyl)amidosuccinoyl deriv. 7::benzyl N-[(1S)-1-{[(2S,3R)-4-(N-tert-butylbutanediamido)-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)CCC(=O)NC(C)(C)C

InChI Key: InChIKey=XIVGMNMHSPSAPS-OARDWFSCSA-N

Data: 1 IC50

PDB links: 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 1235   
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)		BDBM1235
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 7 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)CCC(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C31H44N4O6/c1-21(2)28(34-30(40)41-20-23-14-10-7-11-15-23)29(39)33-24(18-22-12-8-6-9-13-22)25(36)19-32-26(37)16-17-27(38)35-31(3,4)5/h6-15,21,24-25,28,36H,16-20H2,1-5H3,(H,32,37)(H,33,39)(H,34,40)(H,35,38)/t24-,25+,28-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.25E+3n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...

J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair