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BDBM50071553 1-({(1S,2S)-1-[1-Benzyl-2-hydroxy-3-(3-phenyl-propylcarbamoyl)-propylcarbamoyl]-2-methyl-butylcarbamoyl}-methyl)-4-phenyl-piperidine-4-carboxylic acid amide::CHEMBL75554

SMILES: CC[C@H](C)[C@H](NC(=O)CN1CCC(CC1)(C(N)=O)c1ccccc1)C(=O)NC(Cc1ccccc1)C(O)CC(=O)NCCCc1ccccc1

InChI Key: InChIKey=VNQCCUAWMCKSAK-PHJIUYNJSA-N

Data: 2 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 2 hits for monomerid = 50071553   
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
Plasmepsin 2


(Plasmodium falciparum)
BDBM50071553
PNG
(1-({(1S,2S)-1-[1-Benzyl-2-hydroxy-3-(3-phenyl-prop...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN1CCC(CC1)(C(N)=O)c1ccccc1)C(=O)NC(Cc1ccccc1)C(O)CC(=O)NCCCc1ccccc1
Show InChI InChI=1S/C40H53N5O5/c1-3-29(2)37(44-36(48)28-45-24-21-40(22-25-45,39(41)50)32-19-11-6-12-20-32)38(49)43-33(26-31-16-9-5-10-17-31)34(46)27-35(47)42-23-13-18-30-14-7-4-8-15-30/h4-12,14-17,19-20,29,33-34,37,46H,3,13,18,21-28H2,1-2H3,(H2,41,50)(H,42,47)(H,43,49)(H,44,48)/t29-,33?,34?,37-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
600n/an/an/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of plasmepsin-2 from Plasmodium falciparum.


Bioorg Med Chem Lett 8: 2315-20 (1999)


BindingDB Entry DOI: 10.7270/Q2SN09G9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50071553
PNG
(1-({(1S,2S)-1-[1-Benzyl-2-hydroxy-3-(3-phenyl-prop...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN1CCC(CC1)(C(N)=O)c1ccccc1)C(=O)NC(Cc1ccccc1)C(O)CC(=O)NCCCc1ccccc1
Show InChI InChI=1S/C40H53N5O5/c1-3-29(2)37(44-36(48)28-45-24-21-40(22-25-45,39(41)50)32-19-11-6-12-20-32)38(49)43-33(26-31-16-9-5-10-17-31)34(46)27-35(47)42-23-13-18-30-14-7-4-8-15-30/h4-12,14-17,19-20,29,33-34,37,46H,3,13,18,21-28H2,1-2H3,(H2,41,50)(H,42,47)(H,43,49)(H,44,48)/t29-,33?,34?,37-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against cathepsin D


Bioorg Med Chem Lett 8: 2315-20 (1999)


BindingDB Entry DOI: 10.7270/Q2SN09G9
More data for this
Ligand-Target Pair