Compile Data Set for Download or QSAR

Found 38 hits of ic50 data for polymerid = 1730   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cathepsin B (Bos taurus (bovine))	BDBM16499 ((2S)-2-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C15H24N2O7/c1-5-7(3)9(12(18)16-8(4)14(20)21)17-13(19)10-11(24-10)15(22)23-6-2/h7-11H,5-6H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t7-,8-,9-,10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM16500 ((2S)-2-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)CC)C(O)=O |r| Show InChI InChI=1S/C18H30N2O7/c1-6-9(4)11(15(21)20-12(17(23)24)10(5)7-2)19-16(22)13-14(27-13)18(25)26-8-3/h9-14H,6-8H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t9-,10?,11-,12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM16502 ((2S)-1-[(2S,3S)-2-{[(2S,3S)-3-(benzylcarbamoyl)oxi...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C22H29N3O6/c1-3-13(2)16(21(28)25-11-7-10-15(25)22(29)30)24-20(27)18-17(31-18)19(26)23-12-14-8-5-4-6-9-14/h4-6,8-9,13,15-18H,3,7,10-12H2,1-2H3,(H,23,26)(H,24,27)(H,29,30)/t13-,15-,16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM16509 ((2S)-1-[(2S,3S)-3-methyl-2-{[(2S,3S)-3-(propylcarb...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O)C(=O)NCCC |r| Show InChI InChI=1S/C18H29N3O6/c1-4-8-19-15(22)13-14(27-13)16(23)20-12(10(3)5-2)17(24)21-9-6-7-11(21)18(25)26/h10-14H,4-9H2,1-3H3,(H,19,22)(H,20,23)(H,25,26)/t10-,11-,12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM16510 ((2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-but...) Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O |r| Show InChI InChI=1S/C15H26N2O5/c1-8(2)5-6-16-13(18)10(7-9(3)4)17-14(19)11-12(22-11)15(20)21/h8-12H,5-7H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM50046899 (2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-...) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C=O |r| Show InChI InChI=1S/C23H36N4O4/c1-16(2)13-20(25-17(3)29)23(31)27-21(14-18-9-5-4-6-10-18)22(30)26-19(15-28)11-7-8-12-24/h4-6,9-10,15-16,19-21H,7-8,11-14,24H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM16508 ((2S)-1-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C17H26N2O7/c1-4-9(3)11(15(21)19-8-6-7-10(19)16(22)23)18-14(20)12-13(26-12)17(24)25-5-2/h9-13H,4-8H2,1-3H3,(H,18,20)(H,22,23)/t9-,10-,11-,12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin B (Bos taurus (bovine))	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 GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin B (Bos taurus (bovine))	BDBM16501 ((2S)-2-[(2S,3R)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)CC)C(O)=O |r| Show InChI InChI=1S/C16H26N2O8/c1-5-7(3)9(15(22)23)17-13(20)10(8(4)19)18-14(21)11-12(26-11)16(24)25-6-2/h7-12,19H,5-6H2,1-4H3,(H,17,20)(H,18,21)(H,22,23)/t7?,8-,9+,10+,11+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM50046896 (2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C23H36N6O4/c1-15(2)12-19(27-16(3)31)22(33)29-20(13-17-8-5-4-6-9-17)21(32)28-18(14-30)10-7-11-26-23(24)25/h4-6,8-9,14-15,18-20H,7,10-13H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)(H4,24,25,26)/t18-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50046887 (2-(2-Acetylamino-3-phenyl-propionylamino)-4-methyl...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C23H36N6O4/c1-15(2)12-19(21(32)28-18(14-30)10-7-11-26-23(24)25)29-22(33)20(27-16(3)31)13-17-8-5-4-6-9-17/h4-6,8-9,14-15,18-20H,7,10-13H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)(H4,24,25,26)/t18-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50046888 (2-(2-Acetylamino-3-methyl-butyrylamino)-4-methyl-p...) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r| Show InChI InChI=1S/C20H38N4O4/c1-6-14(4)18(22-15(5)26)20(28)24-17(11-13(2)3)19(27)23-16(12-25)9-7-8-10-21/h12-14,16-18H,6-11,21H2,1-5H3,(H,22,26)(H,23,27)(H,24,28)/t14-,16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50484453 (Shishicrellastatin A) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[H][C@]12[#6][C@]([#6])([#8]C1([#6])[#6])[#6@@H](-[#6]-[#6]-[#6@@H](-[#6])[C@@]1([H])[#6]-[#6][C@@]3([H])[#6]-4=[#6](-[#6]-[#6][C@]13[#6])[C@@]1([#6])[#6]-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#6])-[#6]1=[#6]-[#6]-4)-[#8][C@@]([H])([#6]2)[#6@@H](-[#6])[C@@]1([H])[#6]-[#6][C@@]2([H])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@]12[#6]-[#6][C@]([#8])([#8]-[#6]1)[#6@@H](-[#6])[C@]2([H])[#6@H](-[#6]-3)-[#8]S([#8-])(=O)=O |r,c:21,47,64| Show InChI InChI=1S/C56H86O16S3.3Na/c1-30(37-14-16-40-35-12-13-39-32(3)49(71-75(64,65)66)46(70-74(61,62)63)28-53(39,9)42(35)19-21-51(37,40)7)11-18-47-54(10)27-34(50(5,6)72-54)25-44(68-47)31(2)38-15-17-41-36-26-45(69-73(58,59)60)48-33(4)56(57)24-23-55(48,29-67-56)43(36)20-22-52(38,41)8;;;/h13,30-34,37-38,40-41,44-49,57H,11-12,14-29H2,1-10H3,(H,58,59,60)(H,61,62,63)(H,64,65,66);;;/q;3*+1/p-3/t30-,31+,32-,33+,34+,37-,38-,40+,41+,44+,45+,46+,47-,48-,49+,51-,52-,53+,54+,55+,56+;;;/m1.../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of bovine cathepsin B after 1 hr by fluorescence assay				Bioorg Med Chem 19: 6594-8 (2011) Article DOI: 10.1016/j.bmc.2011.06.052 BindingDB Entry DOI: 10.7270/Q2PN98GC
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50484452 (Shishicrellastatin B) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[H][C@]12[#6][C@]([#6])([#8]C1([#6])[#6])[#6@@H](-[#6]-[#6]-[#6@@H](-[#6])[C@@]1([H])[#6]-[#6]=[#6]3-[#6]-4=[#6](-[#6]-[#6][C@]13[#6])[C@@]1([#6])[#6]-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#6])-[#6]1=[#6]-[#6]-4)-[#8][C@@]([H])([#6]2)[#6@@H](-[#6])[C@@]1([H])[#6]-[#6][C@@]2([H])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@]12[#6]-[#6][C@]([#8])([#8]-[#6]1)[#6@@H](-[#6])[C@]2([H])[#6@H](-[#6]-3)-[#8]S([#8-])(=O)=O |r,c:20,46,63,t:18| Show InChI InChI=1S/C56H84O16S3.3Na/c1-30(37-14-16-40-35-12-13-39-32(3)49(71-75(64,65)66)46(70-74(61,62)63)28-53(39,9)42(35)19-21-51(37,40)7)11-18-47-54(10)27-34(50(5,6)72-54)25-44(68-47)31(2)38-15-17-41-36-26-45(69-73(58,59)60)48-33(4)56(57)24-23-55(48,29-67-56)43(36)20-22-52(38,41)8;;;/h13,16,30-34,37-38,41,44-49,57H,11-12,14-15,17-29H2,1-10H3,(H,58,59,60)(H,61,62,63)(H,64,65,66);;;/q;3*+1/p-3/t30-,31+,32-,33+,34+,37-,38-,41+,44+,45+,46+,47-,48-,49+,51-,52-,53+,54+,55+,56+;;;/m1.../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of bovine cathepsin B after 1 hr by fluorescence assay				Bioorg Med Chem 19: 6594-8 (2011) Article DOI: 10.1016/j.bmc.2011.06.052 BindingDB Entry DOI: 10.7270/Q2PN98GC
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM16504 (CA inhibitor 7 | CA073 | PrNH-tES-Ile-Pro-OBzl | b...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(=O)NCCC |r| Show InChI InChI=1S/C25H35N3O6/c1-4-13-26-22(29)20-21(34-20)23(30)27-19(16(3)5-2)24(31)28-14-9-12-18(28)25(32)33-15-17-10-7-6-8-11-17/h6-8,10-11,16,18-21H,4-5,9,12-15H2,1-3H3,(H,26,29)(H,27,30)/t16-,18-,19-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM50047352 (CHEMBL3314610) Show SMILES CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C32H59N5O9/c1-11-25(40)36-28(18(6)7)32(46)37-29(19(8)9)31(45)35-21(12-16(2)3)23(38)14-26(41)33-20(10)30(44)34-22(13-17(4)5)24(39)15-27(42)43/h16-24,28-29,38-39H,11-15H2,1-10H3,(H,33,41)(H,34,44)(H,35,45)(H,36,40)(H,37,46)(H,42,43)/t20-,21-,22-,23-,24-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin B using Z-Arg-Arg-AMC as substrate after 30 mins by fluorescence assay				J Nat Prod 77: 1749-52 (2014) Article DOI: 10.1021/np500337m BindingDB Entry DOI: 10.7270/Q2W37XXN
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50046885 (2-(2-Acetylamino-3-phenyl-propionylamino)-N-(1-for...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C22H34N6O4/c1-14(2)19(21(32)27-17(13-29)10-7-11-25-22(23)24)28-20(31)18(26-15(3)30)12-16-8-5-4-6-9-16/h4-6,8-9,13-14,17-19H,7,10-12H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)(H4,23,24,25)/t17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50046890 (2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-...) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C=O |r| Show InChI InChI=1S/C19H36N4O4/c1-12(2)10-16(21-14(5)25)18(26)23-17(13(3)4)19(27)22-15(11-24)8-6-7-9-20/h11-13,15-17H,6-10,20H2,1-5H3,(H,21,25)(H,22,27)(H,23,26)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50047353 (CHEMBL3314607) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H55N5O9/c1-18(2)14-24(38-33(47)31(20(5)6)39-34(48)30(19(3)4)36-22(8)40)26(41)16-28(43)35-21(7)32(46)37-25(27(42)17-29(44)45)15-23-12-10-9-11-13-23/h9-13,18-21,24-27,30-31,41-42H,14-17H2,1-8H3,(H,35,43)(H,36,40)(H,37,46)(H,38,47)(H,39,48)(H,44,45)/t21-,24-,25-,26-,27-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin B using Z-Arg-Arg-AMC as substrate after 30 mins by fluorescence assay				J Nat Prod 77: 1749-52 (2014) Article DOI: 10.1021/np500337m BindingDB Entry DOI: 10.7270/Q2W37XXN
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM16506 ((2S)-1-(2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C13H18N2O7/c1-2-21-13(20)10-9(22-10)11(17)14-6-8(16)15-5-3-4-7(15)12(18)19/h7,9-10H,2-6H2,1H3,(H,14,17)(H,18,19)/t7-,9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin B (Bos taurus (bovine))	BDBM50368642 (ACETYLPEPSTATIN) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C31H57N5O9/c1-15(2)11-21(35-30(44)28(18(7)8)36-31(45)27(17(5)6)33-20(10)37)23(38)13-25(40)32-19(9)29(43)34-22(12-16(3)4)24(39)14-26(41)42/h15-19,21-24,27-28,38-39H,11-14H2,1-10H3,(H,32,40)(H,33,37)(H,34,43)(H,35,44)(H,36,45)(H,41,42)/t19-,21-,22-,23-,24-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin B using Z-Arg-Arg-AMC as substrate after 30 mins by fluorescence assay				J Nat Prod 77: 1749-52 (2014) Article DOI: 10.1021/np500337m BindingDB Entry DOI: 10.7270/Q2W37XXN
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50046900 (2-(2-Acetylamino-3-phenyl-propionylamino)-4-methyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C=O |r| Show InChI InChI=1S/C23H36N4O4/c1-16(2)13-20(22(30)26-19(15-28)11-7-8-12-24)27-23(31)21(25-17(3)29)14-18-9-5-4-6-10-18/h4-6,9-10,15-16,19-21H,7-8,11-14,24H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50046891 (2-(2-Acetylamino-4-methyl-pentanoylamino)-3-methyl...) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C20H38N6O4/c1-6-13(4)17(26-18(29)16(10-12(2)3)24-14(5)28)19(30)25-15(11-27)8-7-9-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,30)(H,26,29)(H4,21,22,23)/t13-,15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50046898 (2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-...) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r| Show InChI InChI=1S/C20H38N4O4/c1-13(2)10-17(22-15(5)26)20(28)24-18(11-14(3)4)19(27)23-16(12-25)8-6-7-9-21/h12-14,16-18H,6-11,21H2,1-5H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM16497 ((2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O |r| Show InChI InChI=1S/C12H19NO6/c1-4-6(3)7(11(15)16)13-10(14)8-9(19-8)12(17)18-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-,8-,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM50047355 (CHEMBL3314608) Show SMILES CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C35H57N5O9/c1-9-28(43)39-31(20(4)5)35(49)40-32(21(6)7)34(48)38-24(15-19(2)3)26(41)17-29(44)36-22(8)33(47)37-25(27(42)18-30(45)46)16-23-13-11-10-12-14-23/h10-14,19-22,24-27,31-32,41-42H,9,15-18H2,1-8H3,(H,36,44)(H,37,47)(H,38,48)(H,39,43)(H,40,49)(H,45,46)/t22-,24-,25-,26-,27-,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin B using Z-Arg-Arg-AMC as substrate after 30 mins by fluorescence assay				J Nat Prod 77: 1749-52 (2014) Article DOI: 10.1021/np500337m BindingDB Entry DOI: 10.7270/Q2W37XXN
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50047354 (CHEMBL3314609) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C36H59N5O9/c1-19(2)15-25(39-35(49)31(20(3)4)41-36(50)32(21(5)6)40-33(47)22(7)8)27(42)17-29(44)37-23(9)34(48)38-26(28(43)18-30(45)46)16-24-13-11-10-12-14-24/h10-14,19-23,25-28,31-32,42-43H,15-18H2,1-9H3,(H,37,44)(H,38,48)(H,39,49)(H,40,47)(H,41,50)(H,45,46)/t23-,25-,26-,27-,28-,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin B using Z-Arg-Arg-AMC as substrate after 30 mins by fluorescence assay				J Nat Prod 77: 1749-52 (2014) Article DOI: 10.1021/np500337m BindingDB Entry DOI: 10.7270/Q2W37XXN
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50046895 (2-Acetylamino-3-methyl-pentanoic acid [1-(5-amino-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C=O |r| Show InChI InChI=1S/C19H36N4O4/c1-12(2)10-16(18(26)22-15(11-24)8-6-7-9-20)23-19(27)17(13(3)4)21-14(5)25/h11-13,15-17H,6-10,20H2,1-5H3,(H,21,25)(H,22,26)(H,23,27)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50047351 (CHEBI:7988 | CHEMBL3314611) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C33H61N5O9/c1-16(2)12-22(36-32(46)28(18(5)6)38-33(47)29(19(7)8)37-30(44)20(9)10)24(39)14-26(41)34-21(11)31(45)35-23(13-17(3)4)25(40)15-27(42)43/h16-25,28-29,39-40H,12-15H2,1-11H3,(H,34,41)(H,35,45)(H,36,46)(H,37,44)(H,38,47)(H,42,43)/t21-,22-,23-,24-,25-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin B using Z-Arg-Arg-AMC as substrate after 30 mins by fluorescence assay				J Nat Prod 77: 1749-52 (2014) Article DOI: 10.1021/np500337m BindingDB Entry DOI: 10.7270/Q2W37XXN
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM16505 (BzlNH-tES-Ile-Pro-OBzl | CA inhibitor 8 | CA077 | ...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C29H35N3O6/c1-3-19(2)23(31-27(34)25-24(38-25)26(33)30-17-20-11-6-4-7-12-20)28(35)32-16-10-15-22(32)29(36)37-18-21-13-8-5-9-14-21/h4-9,11-14,19,22-25H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM50046894 (2-(2-Acetylamino-3-methyl-butyrylamino)-4-methyl-p...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C19H36N6O4/c1-11(2)9-15(25-18(29)16(12(3)4)23-13(5)27)17(28)24-14(10-26)7-6-8-22-19(20)21/h10-12,14-16H,6-9H2,1-5H3,(H,23,27)(H,24,28)(H,25,29)(H4,20,21,22)/t14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50046892 (2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C23H36N6O5/c1-14(2)11-19(27-15(3)31)22(34)29-20(12-16-6-8-18(32)9-7-16)21(33)28-17(13-30)5-4-10-26-23(24)25/h6-9,13-14,17,19-20,32H,4-5,10-12H2,1-3H3,(H,27,31)(H,28,33)(H,29,34)(H4,24,25,26)/t17-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM16503 (CA inhibitor 6 | CA074Me | PrNH-tES-Ile-Pro-OMe | ...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OC)C(=O)NCCC |r| Show InChI InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM50046893 (2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propionylami...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C23H36N6O5/c1-14(2)11-19(21(33)28-17(13-30)5-4-10-26-23(24)25)29-22(34)20(27-15(3)31)12-16-6-8-18(32)9-7-16/h6-9,13-14,17,19-20,32H,4-5,10-12H2,1-3H3,(H,27,31)(H,28,33)(H,29,34)(H4,24,25,26)/t17-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50046889 (2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C19H36N6O4/c1-11(2)9-15(23-13(5)27)17(28)25-16(12(3)4)18(29)24-14(10-26)7-6-8-22-19(20)21/h10-12,14-16H,6-9H2,1-5H3,(H,23,27)(H,24,29)(H,25,28)(H4,20,21,22)/t14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate				J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50147766 (CHEMBL3765121) Show SMILES COc1ccccc1\C=C\C(=O)N[C@@H](COC(=O)c1ccccc1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C26H30N2O5/c1-32-23-15-9-8-10-19(23)16-17-24(29)28-22(25(30)27-21-13-6-3-7-14-21)18-33-26(31)20-11-4-2-5-12-20/h2,4-5,8-12,15-17,21-22H,3,6-7,13-14,18H2,1H3,(H,27,30)(H,28,29)/b17-16+/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yamagata University Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin B using Z-Arg-Arg-MCA as substrate incubated for 10 mins				Bioorg Med Chem 24: 1241-54 (2016) Article DOI: 10.1016/j.bmc.2016.01.052 BindingDB Entry DOI: 10.7270/Q23T9K25
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50224807 (CHEMBL400366 | cyclo(Pro-Gly-Leu-Val-Met-Phe-Gly-V...) Show SMILES CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O)C(C)C)C(C)C Show InChI InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Zürich Curated by ChEMBL					Assay Description Inhibition of bovine Cathepsin B				J Nat Prod 70: 1611-5 (2007) Article DOI: 10.1021/np0700873 BindingDB Entry DOI: 10.7270/Q23N233F
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50147767 (CHEMBL3765089) Show SMILES COc1cc(\C=C\C(=O)N[C@H](COC(=O)c2ccccc2)C(=O)NC2CCCCC2)cc(OC)c1OC |r| Show InChI InChI=1S/C28H34N2O7/c1-34-23-16-19(17-24(35-2)26(23)36-3)14-15-25(31)30-22(27(32)29-21-12-8-5-9-13-21)18-37-28(33)20-10-6-4-7-11-20/h4,6-7,10-11,14-17,21-22H,5,8-9,12-13,18H2,1-3H3,(H,29,32)(H,30,31)/b15-14+/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yamagata University Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin B using Z-Arg-Arg-MCA as substrate incubated for 10 mins				Bioorg Med Chem 24: 1241-54 (2016) Article DOI: 10.1016/j.bmc.2016.01.052 BindingDB Entry DOI: 10.7270/Q23T9K25
					More data for this Ligand-Target Pair