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BDBM1198 2-Aminobenzyl-Substituted AHPPA deriv. 13::tert-butyl N-[(2S,3R,4R)-4-(benzylcarbamoyl)-3-hydroxy-4-({[4-(2-hydroxyethoxy)phenyl]methyl}amino)-1-phenylbutan-2-yl]carbamate

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=BUHUTJVMYVJZPG-AQBUARTHNA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 1198   
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)
BDBM1198
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 13 | tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)NCc1ccccc1
Show InChI InChI=1/C32H41N3O6/c1-32(2,3)41-31(39)35-27(20-23-10-6-4-7-11-23)29(37)28(30(38)34-22-24-12-8-5-9-13-24)33-21-25-14-16-26(17-15-25)40-19-18-36/h4-17,27-29,33,36-37H,18-22H2,1-3H3,(H,34,38)(H,35,39)/t27-,28+,29+/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1198
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 13 | tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)NCc1ccccc1
Show InChI InChI=1/C32H41N3O6/c1-32(2,3)41-31(39)35-27(20-23-10-6-4-7-11-23)29(37)28(30(38)34-22-24-12-8-5-9-13-24)33-21-25-14-16-26(17-15-25)40-19-18-36/h4-17,27-29,33,36-37H,18-22H2,1-3H3,(H,34,38)(H,35,39)/t27-,28+,29+/s2
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+3 -8.40n/an/an/an/an/a6.2537



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 2060-7 (1996)


Article DOI: 10.1021/jm9508696
BindingDB Entry DOI: 10.7270/Q2VT1Q89
More data for this
Ligand-Target Pair