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5 similar compounds to monomer 50107633

Compile data set for download or QSAR
Wt: 589.6
BDBM50107631
Wt: 531.6
BDBM50107638
Wt: 575.6
BDBM50107621
Wt: 561.6
BDBM50107628
Wt: 465.5
BDBM50107629

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50107631,50107638,50107621,50107628,50107629   
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
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107621
PNG
(4-[2-Cyano-2-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2ccc(cc2)C(O)=O)C#N)c1
Show InChI InChI=1S/C35H33N3O5/c1-24-9-8-10-26(19-24)20-31(38-34(40)32(27-11-4-2-5-12-27)28-13-6-3-7-14-28)33(39)37-30(21-36)23-43-22-25-15-17-29(18-16-25)35(41)42/h2-19,30-32H,20,22-23H2,1H3,(H,37,39)(H,38,40)(H,41,42)/t30-,31+/m1/s1
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n/an/a 30.7n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107628
PNG
(CHEMBL343423 | N-[Cyano-(3-hydroxymethyl-benzyloxy...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2cccc(CO)c2)C#N)c1
Show InChI InChI=1S/C35H35N3O4/c1-25-10-8-11-26(18-25)20-32(34(40)37-31(21-36)24-42-23-28-13-9-12-27(19-28)22-39)38-35(41)33(29-14-4-2-5-15-29)30-16-6-3-7-17-30/h2-19,31-33,39H,20,22-24H2,1H3,(H,37,40)(H,38,41)/t31-,32+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107638
PNG
(CHEMBL336436 | N-(Benzyloxymethyl-cyano-methyl)-2-...)
Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2ccccc2)C#N)c1
Show InChI InChI=1S/C34H33N3O3/c1-25-12-11-15-27(20-25)21-31(33(38)36-30(22-35)24-40-23-26-13-5-2-6-14-26)37-34(39)32(28-16-7-3-8-17-28)29-18-9-4-10-19-29/h2-20,30-32H,21,23-24H2,1H3,(H,36,38)(H,37,39)/t30-,31+/m1/s1
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n/an/a 10.2n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107629
PNG
(3-[2-Cyano-2-(2-pentanoylamino-3-m-tolyl-propionyl...)
Show SMILES CCCCC(=O)N[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H](COCc1cccc(c1)C(O)=O)C#N
Show InChI InChI=1S/C26H31N3O5/c1-3-4-11-24(30)29-23(14-19-8-5-7-18(2)12-19)25(31)28-22(15-27)17-34-16-20-9-6-10-21(13-20)26(32)33/h5-10,12-13,22-23H,3-4,11,14,16-17H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)/t22-,23+/m1/s1
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n/an/a 35.7n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50107631
PNG
(3-[2-Cyano-2-(2-diphenylacetylamino-3-m-tolyl-prop...)
Show SMILES COC(=O)c1cccc(COC[C@H](NC(=O)[C@H](Cc2cccc(C)c2)NC(=O)C(c2ccccc2)c2ccccc2)C#N)c1
Show InChI InChI=1S/C36H35N3O5/c1-25-11-9-12-26(19-25)21-32(39-35(41)33(28-14-5-3-6-15-28)29-16-7-4-8-17-29)34(40)38-31(22-37)24-44-23-27-13-10-18-30(20-27)36(42)43-2/h3-20,31-33H,21,23-24H2,1-2H3,(H,38,40)(H,39,41)/t31-,32+/m1/s1
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PubMed
n/an/a 47n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.


J Med Chem 44: 4524-34 (2001)


Article DOI: 10.1021/jm010206q
BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair