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2 similar compounds to monomer 50146777

Compile data set for download or QSAR
Wt: 645.9
BDBM50016023
Wt: 552.7
BDBM50146770

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50016023,50146770   
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)
BDBM50146770
PNG
(CHEMBL94646 | N-(1-{1-[1-Hydroxy-2-(3-phenyl-propy...)
Show SMILES CCC(C)C(NC(=O)c1ccc(CNC)cc1)C(=O)NC(CC(C)C)C(O)CC(=O)NCCCc1ccccc1
Show InChI InChI=1S/C32H48N4O4/c1-6-23(4)30(36-31(39)26-16-14-25(15-17-26)21-33-5)32(40)35-27(19-22(2)3)28(37)20-29(38)34-18-10-13-24-11-8-7-9-12-24/h7-9,11-12,14-17,22-23,27-28,30,33,37H,6,10,13,18-21H2,1-5H3,(H,34,38)(H,35,40)(H,36,39)
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440n/an/an/an/an/an/an/an/a



Universitat Pompeu Fabra

Curated by ChEMBL


Assay Description
Binding affinity towards plasmepsin-2 in Plasmodium falciparum.


J Med Chem 47: 2805-15 (2004)


Article DOI: 10.1021/jm0311240
BindingDB Entry DOI: 10.7270/Q22J6CMN
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50146770
PNG
(CHEMBL94646 | N-(1-{1-[1-Hydroxy-2-(3-phenyl-propy...)
Show SMILES CCC(C)C(NC(=O)c1ccc(CNC)cc1)C(=O)NC(CC(C)C)C(O)CC(=O)NCCCc1ccccc1
Show InChI InChI=1S/C32H48N4O4/c1-6-23(4)30(36-31(39)26-16-14-25(15-17-26)21-33-5)32(40)35-27(19-22(2)3)28(37)20-29(38)34-18-10-13-24-11-8-7-9-12-24/h7-9,11-12,14-17,22-23,27-28,30,33,37H,6,10,13,18-21H2,1-5H3,(H,34,38)(H,35,40)(H,36,39)
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440n/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)


Article DOI: 10.1016/s0960-894x(98)00419-3
BindingDB Entry DOI: 10.7270/Q2SN09G9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50146770
PNG
(CHEMBL94646 | N-(1-{1-[1-Hydroxy-2-(3-phenyl-propy...)
Show SMILES CCC(C)C(NC(=O)c1ccc(CNC)cc1)C(=O)NC(CC(C)C)C(O)CC(=O)NCCCc1ccccc1
Show InChI InChI=1S/C32H48N4O4/c1-6-23(4)30(36-31(39)26-16-14-25(15-17-26)21-33-5)32(40)35-27(19-22(2)3)28(37)20-29(38)34-18-10-13-24-11-8-7-9-12-24/h7-9,11-12,14-17,22-23,27-28,30,33,37H,6,10,13,18-21H2,1-5H3,(H,34,38)(H,35,40)(H,36,39)
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1.30E+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)


Article DOI: 10.1016/s0960-894x(98)00419-3
BindingDB Entry DOI: 10.7270/Q2SN09G9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50146770
PNG
(CHEMBL94646 | N-(1-{1-[1-Hydroxy-2-(3-phenyl-propy...)
Show SMILES CCC(C)C(NC(=O)c1ccc(CNC)cc1)C(=O)NC(CC(C)C)C(O)CC(=O)NCCCc1ccccc1
Show InChI InChI=1S/C32H48N4O4/c1-6-23(4)30(36-31(39)26-16-14-25(15-17-26)21-33-5)32(40)35-27(19-22(2)3)28(37)20-29(38)34-18-10-13-24-11-8-7-9-12-24/h7-9,11-12,14-17,22-23,27-28,30,33,37H,6,10,13,18-21H2,1-5H3,(H,34,38)(H,35,40)(H,36,39)
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1.30E+3n/an/an/an/an/an/an/an/a



Universitat Pompeu Fabra

Curated by ChEMBL


Assay Description
Binding affinity towards human cathepsin D.


J Med Chem 47: 2805-15 (2004)


Article DOI: 10.1021/jm0311240
BindingDB Entry DOI: 10.7270/Q22J6CMN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50016023
PNG
(3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H63N5O5/c1-22(2)16-28(41-36(46)34(26(9)10)37-21-30(25(7)8)40-32(43)18-24(5)6)31(42)19-33(44)39-29(17-23(3)4)35(45)38-20-27-14-12-11-13-15-27/h11-15,22-26,28-31,34,37,42H,16-21H2,1-10H3,(H,38,45)(H,39,44)(H,40,43)(H,41,46)/t28-,29-,30+,31?,34-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 33: 838-45 (1990)


Article DOI: 10.1021/jm00164a058
BindingDB Entry DOI: 10.7270/Q2T152M6
More data for this
Ligand-Target Pair