Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'korukonda' and Initial = 'r'   

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
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193489 ((R)-1-(4-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21N3O6S/c24-14-16(13-15-5-2-1-3-6-15)21-20(25)19-7-4-12-22(19)30(28,29)18-10-8-17(9-11-18)23(26)27/h1-3,5-6,8-11,14,16,19H,4,7,12-13H2,(H,21,25)/t16?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain small subunit 1 (Sus scrofa)	BDBM50124028 ((S)-4-Methyl-2-(toluene-4-sulfonylamino)-pentanoic...) Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C22H28N2O4S/c1-16(2)13-21(24-29(27,28)20-11-9-17(3)10-12-20)22(26)23-19(15-25)14-18-7-5-4-6-8-18/h4-12,15-16,19,21,24H,13-14H2,1-3H3,(H,23,26)/t19?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Compound tested for inhibition of porcine calpain I				Bioorg Med Chem Lett 13: 783-4 (2003) BindingDB Entry DOI: 10.7270/Q2PN950V
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193501 ((R)-1-(4-iodophenylsulfonyl)-N-((R,S)-1-oxo-3-phen...) Show SMILES Ic1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21IN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193494 ((R)-1-(4-methoxyphenylsulfonyl)-N-((R,S)-1-oxo-3-p...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C21H24N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)23-13-5-8-20(23)21(25)22-17(15-24)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,17,20H,5,8,13-14H2,1H3,(H,22,25)/t17?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193509 ((S)-3-(4-iodophenylsulfonyl)-N-((R,S)-1-oxo-3-phen...) Show SMILES Ic1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19IN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain small subunit 1 (Sus scrofa)	BDBM50124032 (3-(Toluene-4-sulfonyl)-thiazolidine-2-carboxylic a...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H22N2O4S2/c1-15-7-9-18(10-8-15)28(25,26)22-11-12-27-20(22)19(24)21-17(14-23)13-16-5-3-2-4-6-16/h2-10,14,17,20H,11-13H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Compound tested for inhibition of porcine Calpain 1				Bioorg Med Chem Lett 13: 783-4 (2003) BindingDB Entry DOI: 10.7270/Q2PN950V
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50124028 ((S)-4-Methyl-2-(toluene-4-sulfonylamino)-pentanoic...) Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C22H28N2O4S/c1-16(2)13-21(24-29(27,28)20-11-9-17(3)10-12-20)22(26)23-19(15-25)14-18-7-5-4-6-8-18/h4-12,15-16,19,21,24H,13-14H2,1-3H3,(H,23,26)/t19?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Compound tested for inhibition of human liver cathepsin B				Bioorg Med Chem Lett 13: 783-4 (2003) BindingDB Entry DOI: 10.7270/Q2PN950V
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193503 ((4S)-N-(1-oxo-3-phenylpropan-2-yl)-3-tosylthiazoli...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H22N2O4S2/c1-15-7-9-18(10-8-15)28(25,26)22-14-27-13-19(22)20(24)21-17(12-23)11-16-5-3-2-4-6-16/h2-10,12,17,19H,11,13-14H2,1H3,(H,21,24)/t17?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193502 ((S)-3-(4-bromophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19BrN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50244952 ((S)-2-ethyl-N-(1-oxo-3-phenylpropan-2-yl)-2-(3-phe...) Show SMILES CCC(CC)(NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| Show InChI InChI=1S/C24H30N2O3/c1-3-24(4-2,26-22(28)16-15-19-11-7-5-8-12-19)23(29)25-21(18-27)17-20-13-9-6-10-14-20/h5-14,18,21H,3-4,15-17H2,1-2H3,(H,25,29)(H,26,28)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of pig erythrocyte mu-calpain				Bioorg Med Chem Lett 18: 4806-8 (2008) Article DOI: 10.1016/j.bmcl.2008.07.094 BindingDB Entry DOI: 10.7270/Q2V987W2
					More data for this Ligand-Target Pair
Calpain small subunit 1 (Sus scrofa)	BDBM50124029 (1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic ac...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C21H24N2O4S/c1-16-9-11-19(12-10-16)28(26,27)23-13-5-8-20(23)21(25)22-18(15-24)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,15,18,20H,5,8,13-14H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Compound tested for inhibition of porcine Calpain 1				Bioorg Med Chem Lett 13: 783-4 (2003) BindingDB Entry DOI: 10.7270/Q2PN950V
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193507 ((2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-tosylpyrrolid...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C21H24N2O4S/c1-16-9-11-19(12-10-16)28(26,27)23-13-5-8-20(23)21(25)22-18(15-24)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,15,18,20H,5,8,13-14H2,1H3,(H,22,25)/t18?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193490 ((S)-3-(4-chlorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19ClN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193502 ((S)-3-(4-bromophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19BrN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193495 ((S)-3-(4-fluorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...) Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19FN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193509 ((S)-3-(4-iodophenylsulfonyl)-N-((R,S)-1-oxo-3-phen...) Show SMILES Ic1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19IN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193503 ((4S)-N-(1-oxo-3-phenylpropan-2-yl)-3-tosylthiazoli...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H22N2O4S2/c1-15-7-9-18(10-8-15)28(25,26)22-14-27-13-19(22)20(24)21-17(12-23)11-16-5-3-2-4-6-16/h2-10,12,17,19H,11,13-14H2,1H3,(H,21,24)/t17?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193504 ((R)-1-(4-bromophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21BrN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193497 ((R)-1-(4-chlorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21ClN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50069792 ((2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-N-[(...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O |r| Show InChI InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				Bioorg Med Chem Lett 18: 4806-8 (2008) Article DOI: 10.1016/j.bmcl.2008.07.094 BindingDB Entry DOI: 10.7270/Q2V987W2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50069792 ((2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-N-[(...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O |r| Show InChI InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of pig erythrocyte mu-calpain				Bioorg Med Chem Lett 18: 4806-8 (2008) Article DOI: 10.1016/j.bmcl.2008.07.094 BindingDB Entry DOI: 10.7270/Q2V987W2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193506 ((R)-1-(naphthalen-1-ylsulfonyl)-N-((R,S)-1-oxo-3-p...) Show SMILES O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H24N2O4S/c27-17-20(16-18-8-2-1-3-9-18)25-24(28)22-13-7-15-26(22)31(29,30)23-14-6-11-19-10-4-5-12-21(19)23/h1-6,8-12,14,17,20,22H,7,13,15-16H2,(H,25,28)/t20?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193493 ((R)-N-((R,S)-1-oxo-3-phenylpropan-2-yl)-1-(phenyls...) Show SMILES O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H22N2O4S/c23-15-17(14-16-8-3-1-4-9-16)21-20(24)19-12-7-13-22(19)27(25,26)18-10-5-2-6-11-18/h1-6,8-11,15,17,19H,7,12-14H2,(H,21,24)/t17?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193490 ((S)-3-(4-chlorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19ClN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain small subunit 1 (Sus scrofa)	BDBM50124030 (1-(Toluene-4-sulfonyl)-azetidine-2-carboxylic acid...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H22N2O4S/c1-15-7-9-18(10-8-15)27(25,26)22-12-11-19(22)20(24)21-17(14-23)13-16-5-3-2-4-6-16/h2-10,14,17,19H,11-13H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Compound tested for inhibition of porcine Calpain 1				Bioorg Med Chem Lett 13: 783-4 (2003) BindingDB Entry DOI: 10.7270/Q2PN950V
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193505 ((R)-1-(3-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...) Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21N3O6S/c24-14-16(12-15-6-2-1-3-7-15)21-20(25)19-10-5-11-22(19)30(28,29)18-9-4-8-17(13-18)23(26)27/h1-4,6-9,13-14,16,19H,5,10-12H2,(H,21,25)/t16?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193500 ((R)-N-(2(R,S)-3,4-dioxo-4-(phenethylamino)-1-pheny...) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C29H30N4O7S/c34-27(29(36)30-18-17-21-8-3-1-4-9-21)25(20-22-10-5-2-6-11-22)31-28(35)26-12-7-19-32(26)41(39,40)24-15-13-23(14-16-24)33(37)38/h1-6,8-11,13-16,25-26H,7,12,17-20H2,(H,30,36)(H,31,35)/t25?,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193499 ((R)-1-(butylsulfonyl)-N-((R,S)-1-oxo-3-phenylpropa...) Show SMILES CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C18H26N2O4S/c1-2-3-12-25(23,24)20-11-7-10-17(20)18(22)19-16(14-21)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,2-3,7,10-13H2,1H3,(H,19,22)/t16?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193495 ((S)-3-(4-fluorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...) Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19FN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193496 ((R)-1-(4-fluorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...) Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21FN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	386	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193508 ((R)-1-(2-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...) Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21N3O6S/c24-14-16(13-15-7-2-1-3-8-15)21-20(25)18-10-6-12-22(18)30(28,29)19-11-5-4-9-17(19)23(26)27/h1-5,7-9,11,14,16,18H,6,10,12-13H2,(H,21,25)/t16?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	424	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193492 ((R)-N-(2(R,S)-3,4-dioxo-4-(phenethylamino)-1-pheny...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H33N3O6S/c1-39-24-14-16-25(17-15-24)40(37,38)33-20-8-13-27(33)29(35)32-26(21-23-11-6-3-7-12-23)28(34)30(36)31-19-18-22-9-4-2-5-10-22/h2-7,9-12,14-17,26-27H,8,13,18-21H2,1H3,(H,31,36)(H,32,35)/t26?,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain small subunit 1 (Sus scrofa)	BDBM50124031 (1-(Toluene-4-sulfonyl)-piperidine-2-carboxylic aci...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C22H26N2O4S/c1-17-10-12-20(13-11-17)29(27,28)24-14-6-5-9-21(24)22(26)23-19(16-25)15-18-7-3-2-4-8-18/h2-4,7-8,10-13,16,19,21H,5-6,9,14-15H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Compound tested for inhibition of porcine calpain I				Bioorg Med Chem Lett 13: 783-4 (2003) BindingDB Entry DOI: 10.7270/Q2PN950V
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193498 ((R)-1-(isopropylsulfonyl)-N-((R,S)-1-oxo-3-phenylp...) Show SMILES CC(C)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C17H24N2O4S/c1-13(2)24(22,23)19-10-6-9-16(19)17(21)18-15(12-20)11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15-16H,6,9-11H2,1-2H3,(H,18,21)/t15?,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	836	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50193491 ((R)-N-(2(R,S)-3,4-dioxo-4-(phenethylamino)-1-pheny...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H33N3O5S/c1-22-14-16-25(17-15-22)39(37,38)33-20-8-13-27(33)29(35)32-26(21-24-11-6-3-7-12-24)28(34)30(36)31-19-18-23-9-4-2-5-10-23/h2-7,9-12,14-17,26-27H,8,13,18-21H2,1H3,(H,31,36)(H,32,35)/t26?,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte mu calpain				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50244951 ((S)-N-(1-oxo-3-phenylpropan-2-yl)-1-(3-phenylpropa...) Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)CCc1ccccc1 |r| Show InChI InChI=1S/C24H28N2O3/c27-18-21(17-20-11-5-2-6-12-20)25-23(29)24(15-7-8-16-24)26-22(28)14-13-19-9-3-1-4-10-19/h1-6,9-12,18,21H,7-8,13-17H2,(H,25,29)(H,26,28)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				Bioorg Med Chem Lett 18: 4806-8 (2008) Article DOI: 10.1016/j.bmcl.2008.07.094 BindingDB Entry DOI: 10.7270/Q2V987W2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193499 ((R)-1-(butylsulfonyl)-N-((R,S)-1-oxo-3-phenylpropa...) Show SMILES CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C18H26N2O4S/c1-2-3-12-25(23,24)20-11-7-10-17(20)18(22)19-16(14-21)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,2-3,7,10-13H2,1H3,(H,19,22)/t16?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193494 ((R)-1-(4-methoxyphenylsulfonyl)-N-((R,S)-1-oxo-3-p...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C21H24N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)23-13-5-8-20(23)21(25)22-17(15-24)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,17,20H,5,8,13-14H2,1H3,(H,22,25)/t17?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50244951 ((S)-N-(1-oxo-3-phenylpropan-2-yl)-1-(3-phenylpropa...) Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)CCc1ccccc1 |r| Show InChI InChI=1S/C24H28N2O3/c27-18-21(17-20-11-5-2-6-12-20)25-23(29)24(15-7-8-16-24)26-22(28)14-13-19-9-3-1-4-10-19/h1-6,9-12,18,21H,7-8,13-17H2,(H,25,29)(H,26,28)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of pig erythrocyte mu-calpain				Bioorg Med Chem Lett 18: 4806-8 (2008) Article DOI: 10.1016/j.bmcl.2008.07.094 BindingDB Entry DOI: 10.7270/Q2V987W2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193493 ((R)-N-((R,S)-1-oxo-3-phenylpropan-2-yl)-1-(phenyls...) Show SMILES O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H22N2O4S/c23-15-17(14-16-8-3-1-4-9-16)21-20(24)19-12-7-13-22(19)27(25,26)18-10-5-2-6-11-18/h1-6,8-11,15,17,19H,7,12-14H2,(H,21,24)/t17?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193506 ((R)-1-(naphthalen-1-ylsulfonyl)-N-((R,S)-1-oxo-3-p...) Show SMILES O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H24N2O4S/c27-17-20(16-18-8-2-1-3-9-18)25-24(28)22-13-7-15-26(22)31(29,30)23-14-6-11-19-10-4-5-12-21(19)23/h1-6,8-12,14,17,20,22H,7,13,15-16H2,(H,25,28)/t20?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193492 ((R)-N-(2(R,S)-3,4-dioxo-4-(phenethylamino)-1-pheny...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H33N3O6S/c1-39-24-14-16-25(17-15-24)40(37,38)33-20-8-13-27(33)29(35)32-26(21-23-11-6-3-7-12-23)28(34)30(36)31-19-18-22-9-4-2-5-10-22/h2-7,9-12,14-17,26-27H,8,13,18-21H2,1H3,(H,31,36)(H,32,35)/t26?,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50124030 (1-(Toluene-4-sulfonyl)-azetidine-2-carboxylic acid...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H22N2O4S/c1-15-7-9-18(10-8-15)27(25,26)22-12-11-19(22)20(24)21-17(14-23)13-16-5-3-2-4-6-16/h2-10,14,17,19H,11-13H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Compound tested for inhibition of human liver Cathepsin B				Bioorg Med Chem Lett 13: 783-4 (2003) BindingDB Entry DOI: 10.7270/Q2PN950V
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50244952 ((S)-2-ethyl-N-(1-oxo-3-phenylpropan-2-yl)-2-(3-phe...) Show SMILES CCC(CC)(NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| Show InChI InChI=1S/C24H30N2O3/c1-3-24(4-2,26-22(28)16-15-19-11-7-5-8-12-19)23(29)25-21(18-27)17-20-13-9-6-10-14-20/h5-14,18,21H,3-4,15-17H2,1-2H3,(H,25,29)(H,26,28)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				Bioorg Med Chem Lett 18: 4806-8 (2008) Article DOI: 10.1016/j.bmcl.2008.07.094 BindingDB Entry DOI: 10.7270/Q2V987W2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193498 ((R)-1-(isopropylsulfonyl)-N-((R,S)-1-oxo-3-phenylp...) Show SMILES CC(C)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C17H24N2O4S/c1-13(2)24(22,23)19-10-6-9-16(19)17(21)18-15(12-20)11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15-16H,6,9-11H2,1-2H3,(H,18,21)/t15?,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193489 ((R)-1-(4-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21N3O6S/c24-14-16(13-15-5-2-1-3-6-15)21-20(25)19-7-4-12-22(19)30(28,29)18-10-8-17(9-11-18)23(26)27/h1-3,5-6,8-11,14,16,19H,4,7,12-13H2,(H,21,25)/t16?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193501 ((R)-1-(4-iodophenylsulfonyl)-N-((R,S)-1-oxo-3-phen...) Show SMILES Ic1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21IN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193504 ((R)-1-(4-bromophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21BrN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50193508 ((R)-1-(2-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...) Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21N3O6S/c24-14-16(13-15-7-2-1-3-8-15)21-20(25)18-10-6-12-22(18)30(28,29)19-11-5-4-9-17(19)23(26)27/h1-5,7-9,11,14,16,18H,6,10,12-13H2,(H,21,25)/t16?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50124031 (1-(Toluene-4-sulfonyl)-piperidine-2-carboxylic aci...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C22H26N2O4S/c1-17-10-12-20(13-11-17)29(27,28)24-14-6-5-9-21(24)22(26)23-19(16-25)15-18-7-3-2-4-8-18/h2-4,7-8,10-13,16,19,21H,5-6,9,14-15H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Compound tested for inhibition of human liver cathepsin B				Bioorg Med Chem Lett 13: 783-4 (2003) BindingDB Entry DOI: 10.7270/Q2PN950V
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 57 total )  |  Next  |  Last  >>

Jump to: