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PubMed code 24642566

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin B


(Capra hircus (Goat))
BDBM50286441
PNG
((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of goat brain cathepsin B


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50286441
PNG
((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1
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7n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50340089
PNG
(4-methoxybenzohydrazide | CHEMBL1588015)
Show SMILES COc1ccc(cc1)C(=O)NN
Show InChI InChI=1S/C8H10N2O2/c1-12-7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
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640n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50001681
PNG
(CHEMBL339003 | Phenyl-Acetic Acid Hydrazide)
Show SMILES NNC(=O)Cc1ccccc1
Show InChI InChI=1S/C8H10N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
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869n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50001694
PNG
(CHEMBL3238003)
Show SMILES Nc1cccc(c1)-c1nnc(-c2cccc(N)c2)n1N
Show InChI InChI=1S/C14H14N6/c15-11-5-1-3-9(7-11)13-18-19-14(20(13)17)10-4-2-6-12(16)8-10/h1-8H,15-17H2
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950n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50001682
PNG
(CHEMBL3237995)
Show SMILES NNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C7H7ClN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)
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1.40E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50001687
PNG
(CHEMBL3237997)
Show SMILES Nn1c(nnc1-c1cccc(c1)[N+]([O-])=O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N6O4/c15-18-13(9-3-1-5-11(7-9)19(21)22)16-17-14(18)10-4-2-6-12(8-10)20(23)24/h1-8H,15H2
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1.40E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50320734
PNG
(4-Hydroxy-benzoic acid hydrazide | 4-hydroxybenzoh...)
Show SMILES NNC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,10H,8H2,(H,9,11)
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1.90E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50001693
PNG
(CHEMBL3238002)
Show SMILES Nn1c(nnc1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H10Cl2N4/c15-11-5-1-9(2-6-11)13-18-19-14(20(13)17)10-3-7-12(16)8-4-10/h1-8H,17H2
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2.40E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50001692
PNG
(CHEMBL3238001)
Show SMILES Cc1cccc(-c2nnc(-c3cccc(C)c3O)n2N)c1O
Show InChI InChI=1S/C16H16N4O2/c1-9-5-3-7-11(13(9)21)15-18-19-16(20(15)17)12-8-4-6-10(2)14(12)22/h3-8,21-22H,17H2,1-2H3
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3.20E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50001686
PNG
(CHEMBL3237996)
Show SMILES Nn1c(nnc1-c1ccc(cc1)[N+]([O-])=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N6O4/c15-18-13(9-1-5-11(6-2-9)19(21)22)16-17-14(18)10-3-7-12(8-4-10)20(23)24/h1-8H,15H2
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4.80E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50001691
PNG
(CHEMBL3238000)
Show SMILES Cc1ccc(cc1)-c1nnc(-c2ccc(C)cc2)n1N
Show InChI InChI=1S/C16H16N4/c1-11-3-7-13(8-4-11)15-18-19-16(20(15)17)14-9-5-12(2)6-10-14/h3-10H,17H2,1-2H3
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8.00E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50286441
PNG
((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin H


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50001676
PNG
(CHEMBL3237776 | Mr-I-27)
Show SMILES COc1ccccc1C(=O)NN
Show InChI InChI=1S/C8H10N2O2/c1-12-7-5-3-2-4-6(7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
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1.30E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50001688
PNG
(CHEMBL3237998)
Show SMILES Cc1ccccc1-c1nnc(-c2ccccc2C)n1N
Show InChI InChI=1S/C16H16N4/c1-11-7-3-5-9-13(11)15-18-19-16(20(15)17)14-10-6-4-8-12(14)2/h3-10H,17H2,1-2H3
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1.50E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50001690
PNG
(CHEMBL3237999)
Show SMILES Cc1cccc(c1)-c1nnc(-c2cccc(C)c2)n1N
Show InChI InChI=1S/C16H16N4/c1-11-5-3-7-13(9-11)15-18-19-16(20(15)17)14-8-4-6-12(2)10-14/h3-10H,17H2,1-2H3
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3.90E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50001684
PNG
(CHEMBL1531266)
Show SMILES Nn1c(nnc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C14H12N4/c15-18-13(11-7-3-1-4-8-11)16-17-14(18)12-9-5-2-6-10-12/h1-10H,15H2
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1.20E+5n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.007
BindingDB Entry DOI: 10.7270/Q2319XDV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%