Compile Data Set for Download or QSAR

Found 319 hits of ki data for polymerid = 5909   

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
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50053813 ((1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-1H-i...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCC2C=CC=CC2C1 |c:41,43| Show InChI InChI=1S/C36H46N4O5/c1-26(2)22-32(39-36(44)45-25-28-14-7-4-8-15-28)34(42)38-31(23-27-12-5-3-6-13-27)33(41)35(43)37-19-11-20-40-21-18-29-16-9-10-17-30(29)24-40/h3-10,12-17,26,29-32H,11,18-25H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of the cysteine protease human Calpain 1				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50053865 ((3-Methyl-1-{1-[3-(3,4,4a,8a-tetrahydro-1H-isoquin...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCC2C=CC=CC2C1 |c:35,37| Show InChI InChI=1S/C31H44N4O5/c1-4-26(28(36)30(38)32-16-10-17-35-18-15-24-13-8-9-14-25(24)20-35)33-29(37)27(19-22(2)3)34-31(39)40-21-23-11-6-5-7-12-23/h5-9,11-14,22,24-27H,4,10,15-21H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of the cysteine protease human Calpain 1				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50053851 ((3-Methyl-1-{1-[3-(3,4,4a,8a-tetrahydro-2H-quinoli...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCCC2C=CC=CC12 |c:36,38| Show InChI InChI=1S/C31H44N4O5/c1-4-25(28(36)30(38)32-17-11-19-35-18-10-15-24-14-8-9-16-27(24)35)33-29(37)26(20-22(2)3)34-31(39)40-21-23-12-6-5-7-13-23/h5-9,12-14,16,22,24-27H,4,10-11,15,17-21H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of the cysteine protease human Calpain 1				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50053800 ((1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-2H-q...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCCC2C=CC=CC12 |c:42,44| Show InChI InChI=1S/C36H46N4O5/c1-26(2)23-31(39-36(44)45-25-28-15-7-4-8-16-28)34(42)38-30(24-27-13-5-3-6-14-27)33(41)35(43)37-20-12-22-40-21-11-18-29-17-9-10-19-32(29)40/h3-10,13-17,19,26,29-32H,11-12,18,20-25H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of the cysteine protease human Calpain 1				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50065404 ((R)-N-((S)-5-Benzenesulfonylamino-1-formyl-pentyl)...) Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C=O Show InChI InChI=1S/C23H31N3O7S2/c1-34(29,30)26-22(18-33-17-19-10-4-2-5-11-19)23(28)25-20(16-27)12-8-9-15-24-35(31,32)21-13-6-3-7-14-21/h2-7,10-11,13-14,16,20,22,24,26H,8-9,12,15,17-18H2,1H3,(H,25,28)/t20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50290289 ((S)-2-[(S)-2-((S)-2-Acetylamino-4-methyl-pentanoyl...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C(O)=O Show InChI InChI=1S/C20H37N3O5/c1-7-8-9-15(20(27)28)22-19(26)17(11-13(4)5)23-18(25)16(10-12(2)3)21-14(6)24/h12-13,15-17H,7-11H2,1-6H3,(H,21,24)(H,22,26)(H,23,25)(H,27,28)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Equilibrium dissociation constant of the compound for the inhibition of human Mu-calpain was determined				Bioorg Med Chem Lett 7: 2507-2512 (1997) Article DOI: 10.1016/S0960-894X(97)10004-X BindingDB Entry DOI: 10.7270/Q28K793P
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50065398 ((R)-3-Benzyloxy-N-[(S)-1-(4-benzyloxy-benzyl)-2-ox...) Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C=O Show InChI InChI=1S/C27H30N2O6S/c1-36(32,33)29-26(20-34-18-22-8-4-2-5-9-22)27(31)28-24(17-30)16-21-12-14-25(15-13-21)35-19-23-10-6-3-7-11-23/h2-15,17,24,26,29H,16,18-20H2,1H3,(H,28,31)/t24-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50112833 (CHEMBL280587 | N-(1-Benzyl-2-carbamoyl-2-oxo-ethyl...) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1C=Cc1ccc2ccccc2c1 |w:23.25| Show InChI InChI=1S/C29H24N2O3/c30-28(33)27(32)26(19-20-8-2-1-3-9-20)31-29(34)25-13-7-6-11-23(25)17-15-21-14-16-22-10-4-5-12-24(22)18-21/h1-18,26H,19H2,(H2,30,33)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH&Co. KG Curated by ChEMBL					Assay Description Inhibition of calpain, using human mu-calpain isolated from erythrocytes and Suc-Leu-Tyr-AMC as the fluorogenic substrate				Bioorg Med Chem Lett 12: 1335-8 (2002) BindingDB Entry DOI: 10.7270/Q2W0958R
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50065401 ((S)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzylsulfanyl-...) Show SMILES CS(=O)(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O4S2/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50084655 (CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description The binding affinity against calpain.				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50080227 (CHEMBL305715 | N-((S)-1-Benzyl-2-{2-[5-(3-cyano-ph...) Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1cccc(c1)C#N Show InChI InChI=1S/C30H24Cl2N4O5S2/c31-22-10-5-11-23(32)27(22)29(38)36-24(17-19-6-2-1-3-7-19)28(37)30(39)34-14-15-35-43(40,41)26-13-12-25(42-26)21-9-4-8-20(16-21)18-33/h1-13,16,24,35H,14-15,17H2,(H,34,39)(H,36,38)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human calpain I				Bioorg Med Chem Lett 9: 2371-4 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BHT
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50014577 (CHEMBL286722 | MDL-2170 | Z-Val-Phe-H | [(S)-1-((S...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50258392 (CHEMBL4092996) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2COc3ccccc3-c2n1 Show InChI InChI=1S/C26H21N5O4/c27-24(33)23(32)20(13-16-7-2-1-3-8-16)29-26(34)19-10-6-12-28-25(19)31-14-17-15-35-21-11-5-4-9-18(21)22(17)30-31/h1-12,14,20H,13,15H2,(H2,27,33)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research, AbbVie Deutschland GmbH& Co. KG , Knollstrasse, 67061 Ludwigshafen, Germany. Curated by ChEMBL					Assay Description Inhibition of human erythrocytes calpain-1 using Suc-Leu-Tyr-AMC as substrate by kinetic fluorescence assay				J Med Chem 60: 7123-7138 (2017) Article DOI: 10.1021/acs.jmedchem.7b00731 BindingDB Entry DOI: 10.7270/Q2Q242P4
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50065407 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...) Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50128678 (CHEMBL310855 | N-(1-Carbamoyl-2-phenyl-ethyl)-2-(2...) Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1\C=C\c1cccc2ccccc12 Show InChI InChI=1S/C28H24N2O2/c29-27(31)26(19-20-9-2-1-3-10-20)30-28(32)25-16-7-5-12-23(25)18-17-22-14-8-13-21-11-4-6-15-24(21)22/h1-18,26H,19H2,(H2,29,31)(H,30,32)/b18-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against human Calpain 1 isolated from erythrocytes				J Med Chem 46: 2404-12 (2003) Article DOI: 10.1021/jm0210717 BindingDB Entry DOI: 10.7270/Q28P5ZVP
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50065396 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-eth...) Show SMILES CCS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H26N2O5S/c1-2-29(26,27)23-20(16-28-15-18-11-7-4-8-12-18)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,19-20,23H,2,13,15-16H2,1H3,(H,22,25)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50065411 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...) Show SMILES CS(=O)(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C=O)c1ccccc1 Show InChI InChI=1S/C18H20N2O4S/c1-25(23,24)20-17(15-10-6-3-7-11-15)18(22)19-16(13-21)12-14-8-4-2-5-9-14/h2-11,13,16-17,20H,12H2,1H3,(H,19,22)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50065412 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-(th...) Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@@H](COCc1ccccc1)NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C23H24N2O5S2/c26-15-20(14-18-8-3-1-4-9-18)24-23(27)21(17-30-16-19-10-5-2-6-11-19)25-32(28,29)22-12-7-13-31-22/h1-13,15,20-21,25H,14,16-17H2,(H,24,27)/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50276901 (CHEMBL4167219) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)c1cc2ccccc2s1 Show InChI InChI=1S/C24H25N3O3S/c25-23(29)22(28)19(14-16-6-2-1-3-7-16)26-24(30)17-10-12-27(13-11-17)21-15-18-8-4-5-9-20(18)31-21/h1-9,15,17,19H,10-14H2,(H2,25,29)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jain University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes mu-calpain using SucLeu-Tyr-AMC as substrate				Eur J Med Chem 138: 1002-1033 (2017) Article DOI: 10.1016/j.ejmech.2017.07.038 BindingDB Entry DOI: 10.7270/Q2C24ZZC
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50092301 (1-(Benzo[b]thiophene-2-carbonyl)-piperidine-4-carb...) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C25H25N3O4S/c26-23(30)22(29)19(14-16-6-2-1-3-7-16)27-24(31)17-10-12-28(13-11-17)25(32)21-15-18-8-4-5-9-20(18)33-21/h1-9,15,17,19H,10-14H2,(H2,26,30)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KNOLL AG Curated by ChEMBL					Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes				Bioorg Med Chem Lett 10: 2187-91 (2001) BindingDB Entry DOI: 10.7270/Q28K78BD
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50065399 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...) Show SMILES CC(OCc1ccccc1)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H26N2O5S/c1-16(28-15-18-11-7-4-8-12-18)20(23-29(2,26)27)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,16,19-20,23H,13,15H2,1-2H3,(H,22,25)/t16?,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50258354 (CHEMBL4094671) Show SMILES NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C25H21N5O3/c26-23(32)22(31)21(16-17-8-3-1-4-9-17)28-25(33)19-12-7-14-27-24(19)30-15-13-20(29-30)18-10-5-2-6-11-18/h1-15,21H,16H2,(H2,26,32)(H,28,33)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research, AbbVie Deutschland GmbH& Co. KG , Knollstrasse, 67061 Ludwigshafen, Germany. Curated by ChEMBL					Assay Description Inhibition of human erythrocytes calpain-1 using Suc-Leu-Tyr-AMC as substrate by kinetic fluorescence assay				J Med Chem 60: 7123-7138 (2017) Article DOI: 10.1021/acs.jmedchem.7b00731 BindingDB Entry DOI: 10.7270/Q2Q242P4
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50065405 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-(1H-indol-3-yl)...) Show SMILES CS(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H23N3O4S/c1-29(27,28)24-20(12-16-13-22-19-10-6-5-9-18(16)19)21(26)23-17(14-25)11-15-7-3-2-4-8-15/h2-10,13-14,17,20,22,24H,11-12H2,1H3,(H,23,26)/t17-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50073850 ((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50080220 ((S)-3-((R)-3-Benzyloxy-2-methanesulfonylamino-prop...) Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C32H35N5O8S3/c1-47(41,42)37-27(22-45-21-24-12-6-3-7-13-24)31(39)36-26(20-23-10-4-2-5-11-23)30(38)32(40)34-18-19-35-48(43,44)29-16-15-28(46-29)25-14-8-9-17-33-25/h2-17,26-27,35,37H,18-22H2,1H3,(H,34,40)(H,36,39)/t26-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human calpain I				Bioorg Med Chem Lett 9: 2371-4 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BHT
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50065403 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...) Show SMILES CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H22N2O4S/c1-26(24,25)21-18(13-16-10-6-3-7-11-16)19(23)20-17(14-22)12-15-8-4-2-5-9-15/h2-11,14,17-18,21H,12-13H2,1H3,(H,20,23)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50065400 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...) Show SMILES CS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C17H20N2O4S2/c1-25(22,23)19-16(11-15-8-5-9-24-15)17(21)18-14(12-20)10-13-6-3-2-4-7-13/h2-9,12,14,16,19H,10-11H2,1H3,(H,18,21)/t14-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50065408 ((S)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...) Show SMILES CS(=O)(=O)N[C@H](CS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O6S2/c1-29(25,26)22-19(15-30(27,28)14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50128679 (CHEMBL77784 | N-(1-Carbamoyl-pentyl)-2-[2-(4-dimet...) Show SMILES CCCCC(NC(=O)c1ccccc1\C=C\c1ccc(CN(C)C)cc1)C(N)=O Show InChI InChI=1S/C24H31N3O2/c1-4-5-10-22(23(25)28)26-24(29)21-9-7-6-8-20(21)16-15-18-11-13-19(14-12-18)17-27(2)3/h6-9,11-16,22H,4-5,10,17H2,1-3H3,(H2,25,28)(H,26,29)/b16-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against human Calpain 1 isolated from erythrocytes				J Med Chem 46: 2404-12 (2003) Article DOI: 10.1021/jm0210717 BindingDB Entry DOI: 10.7270/Q28P5ZVP
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50080225 (CHEMBL311512 | N-[(S)-2-(2-{5-[3-(Acetylamino-meth...) Show SMILES CC(=O)NCc1cccc(c1)-c1ccc(s1)S(=O)(=O)NCCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C32H30Cl2N4O6S2/c1-20(39)36-19-22-9-5-10-23(17-22)27-13-14-28(45-27)46(43,44)37-16-15-35-32(42)30(40)26(18-21-7-3-2-4-8-21)38-31(41)29-24(33)11-6-12-25(29)34/h2-14,17,26,37H,15-16,18-19H2,1H3,(H,35,42)(H,36,39)(H,38,41)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human calpain I				Bioorg Med Chem Lett 9: 2371-4 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BHT
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50080217 (CHEMBL80867 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyridi...) Show SMILES Fc1cccc(F)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C28H24F2N4O5S2/c29-19-9-6-10-20(30)25(19)27(36)34-22(17-18-7-2-1-3-8-18)26(35)28(37)32-15-16-33-41(38,39)24-13-12-23(40-24)21-11-4-5-14-31-21/h1-14,22,33H,15-17H2,(H,32,37)(H,34,36)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human calpain I				Bioorg Med Chem Lett 9: 2371-4 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BHT
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50080231 (CHEMBL312549 | N-((S)-1-Benzyl-2-{2-[5-(3-formyl-p...) Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1cccc(C=O)c1 Show InChI InChI=1S/C30H25Cl2N3O6S2/c31-22-10-5-11-23(32)27(22)29(38)35-24(17-19-6-2-1-3-7-19)28(37)30(39)33-14-15-34-43(40,41)26-13-12-25(42-26)21-9-4-8-20(16-21)18-36/h1-13,16,18,24,34H,14-15,17H2,(H,33,39)(H,35,38)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human calpain I				Bioorg Med Chem Lett 9: 2371-4 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BHT
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50073850 ((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KNOLL AG Curated by ChEMBL					Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes				Bioorg Med Chem Lett 10: 2187-91 (2001) BindingDB Entry DOI: 10.7270/Q28K78BD
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50073850 ((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH&Co. KG Curated by ChEMBL					Assay Description Inhibition of calpain, using human mu-calpain isolated from erythrocytes and Suc-Leu-Tyr-AMC as the fluorogenic substrate				Bioorg Med Chem Lett 12: 1335-8 (2002) BindingDB Entry DOI: 10.7270/Q2W0958R
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50112845 (CHEMBL280654 | N-(1-Benzyl-2-oxo-ethyl)-2-(2-napht...) Show SMILES O=CC(Cc1ccccc1)NC(=O)c1ccccc1\C=C\c1ccc2ccccc2c1 Show InChI InChI=1S/C28H23NO2/c30-20-26(19-21-8-2-1-3-9-21)29-28(31)27-13-7-6-11-24(27)17-15-22-14-16-23-10-4-5-12-25(23)18-22/h1-18,20,26H,19H2,(H,29,31)/b17-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH&Co. KG Curated by ChEMBL					Assay Description Inhibition of calpain, using human mu-calpain isolated from erythrocytes and Suc-Leu-Tyr-AMC as the fluorogenic substrate				Bioorg Med Chem Lett 12: 1335-8 (2002) BindingDB Entry DOI: 10.7270/Q2W0958R
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50128680 (CHEMBL80903 | N-(1-Benzyl-2-oxo-ethyl)-2-(2-naphth...) Show SMILES O=CC(Cc1ccccc1)NC(=O)c1ccccc1\C=C\c1cccc2ccccc12 Show InChI InChI=1S/C28H23NO2/c30-20-25(19-21-9-2-1-3-10-21)29-28(31)27-16-7-5-12-24(27)18-17-23-14-8-13-22-11-4-6-15-26(22)23/h1-18,20,25H,19H2,(H,29,31)/b18-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against human Calpain 1 isolated from erythrocytes				J Med Chem 46: 2404-12 (2003) Article DOI: 10.1021/jm0210717 BindingDB Entry DOI: 10.7270/Q28P5ZVP
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50073850 ((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	15.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against human Calpain 1 isolated from erythrocytes				J Med Chem 46: 2404-12 (2003) Article DOI: 10.1021/jm0210717 BindingDB Entry DOI: 10.7270/Q28P5ZVP
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50258312 (CHEMBL4095528) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C25H21N5O3/c26-23(32)22(31)21(16-17-8-3-1-4-9-17)28-25(33)19-12-7-14-27-24(19)30-15-13-20(29-30)18-10-5-2-6-11-18/h1-15,21H,16H2,(H2,26,32)(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research, AbbVie Deutschland GmbH& Co. KG , Knollstrasse, 67061 Ludwigshafen, Germany. Curated by ChEMBL					Assay Description Inhibition of human erythrocytes calpain-1 using Suc-Leu-Tyr-AMC as substrate by kinetic fluorescence assay				J Med Chem 60: 7123-7138 (2017) Article DOI: 10.1021/acs.jmedchem.7b00731 BindingDB Entry DOI: 10.7270/Q2Q242P4
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50258312 (CHEMBL4095528) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C25H21N5O3/c26-23(32)22(31)21(16-17-8-3-1-4-9-17)28-25(33)19-12-7-14-27-24(19)30-15-13-20(29-30)18-10-5-2-6-11-18/h1-15,21H,16H2,(H2,26,32)(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay				ACS Med Chem Lett 9: 221-226 (2018) Article DOI: 10.1021/acsmedchemlett.7b00494 BindingDB Entry DOI: 10.7270/Q23J3GNH
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50258312 (CHEMBL4095528) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C25H21N5O3/c26-23(32)22(31)21(16-17-8-3-1-4-9-17)28-25(33)19-12-7-14-27-24(19)30-15-13-20(29-30)18-10-5-2-6-11-18/h1-15,21H,16H2,(H2,26,32)(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01808 BindingDB Entry DOI: 10.7270/Q2SF316G
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50128681 (CHEMBL80933 | N-(1-Carbamoyl-2-phenyl-ethyl)-2-[2-...) Show SMILES CN(C)Cc1ccc(\C=C\c2ncccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1 Show InChI InChI=1S/C26H28N4O2/c1-30(2)18-21-12-10-19(11-13-21)14-15-23-22(9-6-16-28-23)26(32)29-24(25(27)31)17-20-7-4-3-5-8-20/h3-16,24H,17-18H2,1-2H3,(H2,27,31)(H,29,32)/b15-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	18.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against human Calpain 1 isolated from erythrocytes				J Med Chem 46: 2404-12 (2003) Article DOI: 10.1021/jm0210717 BindingDB Entry DOI: 10.7270/Q28P5ZVP
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50053822 (CHEMBL132586 | Calpain XII | {3-Methyl-1-[1-(pyrid...) Show SMILES CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C26H34N4O5/c1-4-10-21(23(31)25(33)28-16-20-13-8-9-14-27-20)29-24(32)22(15-18(2)3)30-26(34)35-17-19-11-6-5-7-12-19/h5-9,11-14,18,21-22H,4,10,15-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of the cysteine protease human Calpain 1				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50258394 (CHEMBL4068214) Show SMILES CCCCC(NC(=O)c1cccnc1-n1cc(cn1)-c1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C22H23N5O3/c1-2-3-11-18(19(28)20(23)29)26-22(30)17-10-7-12-24-21(17)27-14-16(13-25-27)15-8-5-4-6-9-15/h4-10,12-14,18H,2-3,11H2,1H3,(H2,23,29)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research, AbbVie Deutschland GmbH& Co. KG , Knollstrasse, 67061 Ludwigshafen, Germany. Curated by ChEMBL					Assay Description Inhibition of human erythrocytes calpain-1 using Suc-Leu-Tyr-AMC as substrate by kinetic fluorescence assay				J Med Chem 60: 7123-7138 (2017) Article DOI: 10.1021/acs.jmedchem.7b00731 BindingDB Entry DOI: 10.7270/Q2Q242P4
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50258320 (CHEMBL4077634) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc(cn1)-c1ccccc1 Show InChI InChI=1S/C25H21N5O3/c26-23(32)22(31)21(14-17-8-3-1-4-9-17)29-25(33)20-12-7-13-27-24(20)30-16-19(15-28-30)18-10-5-2-6-11-18/h1-13,15-16,21H,14H2,(H2,26,32)(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research, AbbVie Deutschland GmbH& Co. KG , Knollstrasse, 67061 Ludwigshafen, Germany. Curated by ChEMBL					Assay Description Inhibition of human erythrocytes calpain-1 using Suc-Leu-Tyr-AMC as substrate by kinetic fluorescence assay				J Med Chem 60: 7123-7138 (2017) Article DOI: 10.1021/acs.jmedchem.7b00731 BindingDB Entry DOI: 10.7270/Q2Q242P4
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50080222 (4-Methyl-pentanoic acid {(S)-1-benzyl-2-oxo-2-[2-(...) Show SMILES CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C27H32N4O5S2/c1-19(2)11-13-24(32)31-22(18-20-8-4-3-5-9-20)26(33)27(34)29-16-17-30-38(35,36)25-14-12-23(37-25)21-10-6-7-15-28-21/h3-10,12,14-15,19,22,30H,11,13,16-18H2,1-2H3,(H,29,34)(H,31,32)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain 1				Bioorg Med Chem Lett 9: 2371-4 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BHT
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50080213 (CHEMBL311256 | N-((S)-1-Benzyl-2-{2-[5-(3-morpholi...) Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C34H34Cl2N4O6S2/c35-26-10-5-11-27(36)31(26)33(42)39-28(21-23-6-2-1-3-7-23)32(41)34(43)37-14-15-38-48(44,45)30-13-12-29(47-30)25-9-4-8-24(20-25)22-40-16-18-46-19-17-40/h1-13,20,28,38H,14-19,21-22H2,(H,37,43)(H,39,42)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain 1				Bioorg Med Chem Lett 9: 2371-4 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BHT
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50065413 ((R)-2-Benzenesulfonylamino-N-((S)-1-benzyl-2-oxo-e...) Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@@H](COCc1ccccc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H26N2O5S/c28-17-22(16-20-10-4-1-5-11-20)26-25(29)24(19-32-18-21-12-6-2-7-13-21)27-33(30,31)23-14-8-3-9-15-23/h1-15,17,22,24,27H,16,18-19H2,(H,26,29)/t22-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50080223 (CHEMBL310826 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyrid...) Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C28H24Cl2N4O5S2/c29-19-9-6-10-20(30)25(19)27(36)34-22(17-18-7-2-1-3-8-18)26(35)28(37)32-15-16-33-41(38,39)24-13-12-23(40-24)21-11-4-5-14-31-21/h1-14,22,33H,15-17H2,(H,32,37)(H,34,36)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human calpain I				Bioorg Med Chem Lett 9: 2371-4 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BHT
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50522682 (CHEMBL4462518) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F3N3O4/c24-23(25,26)16-8-4-7-15(11-16)13-29-18(9-10-19(29)30)22(33)28-17(20(31)21(27)32)12-14-5-2-1-3-6-14/h1-8,11,17-18H,9-10,12-13H2,(H2,27,32)(H,28,33)/t17?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of Cal1 (unknown origin)				Bioorg Med Chem Lett 29: 1968-1973 (2019) Article DOI: 10.1016/j.bmcl.2019.05.034 BindingDB Entry DOI: 10.7270/Q2ZP49H5
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50128682 (CHEMBL80605 | N-(1-Carbamoyl-2-phenyl-ethyl)-2-[2-...) Show SMILES CCN(CC)Cc1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1 Show InChI InChI=1S/C29H33N3O2/c1-3-32(4-2)21-24-16-14-22(15-17-24)18-19-25-12-8-9-13-26(25)29(34)31-27(28(30)33)20-23-10-6-5-7-11-23/h5-19,27H,3-4,20-21H2,1-2H3,(H2,30,33)(H,31,34)/b19-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against human Calpain 1 isolated from erythrocytes				J Med Chem 46: 2404-12 (2003) Article DOI: 10.1021/jm0210717 BindingDB Entry DOI: 10.7270/Q28P5ZVP
					More data for this Ligand-Target Pair

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