Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50044088   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cathepsin B (Capra hircus (Goat))	BDBM50286441 ((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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50286441 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	869	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Pro-cathepsin H (Homo sapiens (Human))	BDBM50286441 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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