Compile Data Set for Download or QSAR

Found 492 hits with Last Name = 'moeller' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin K (Homo sapiens (Human))	BDBM50258318 (CHEMBL4066494) Show SMILES CCN(CC)Cc1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1 Show InChI InChI=1S/C30H33N3O3/c1-3-33(4-2)21-24-16-14-22(15-17-24)18-19-25-12-8-9-13-26(25)30(36)32-27(28(34)29(31)35)20-23-10-6-5-7-11-23/h5-19,27H,3-4,20-21H2,1-2H3,(H2,31,35)(H,32,36)/b19-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	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 procathepsin K expressed in Escherichia coli using Z-Gly-Pro-Arg-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))	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))	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))	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
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))	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))	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
Cathepsin B (Homo sapiens (Human))	BDBM50258318 (CHEMBL4066494) Show SMILES CCN(CC)Cc1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1 Show InChI InChI=1S/C30H33N3O3/c1-3-33(4-2)21-24-16-14-22(15-17-24)18-19-25-12-8-9-13-26(25)30(36)32-27(28(34)29(31)35)20-23-10-6-5-7-11-23/h5-19,27H,3-4,20-21H2,1-2H3,(H2,31,35)(H,32,36)/b19-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	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 liver cathepsin B using Z-Phe-Arg-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))	BDBM50258350 (CHEMBL4094839) Show SMILES CCCCC(NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C22H23N5O3/c1-2-3-11-18(19(28)20(23)29)25-22(30)16-10-7-13-24-21(16)27-14-12-17(26-27)15-8-5-4-6-9-15/h4-10,12-14,18H,2-3,11H2,1H3,(H2,23,29)(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	32	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))	BDBM50258383 (CHEMBL4063636) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H20FN5O3/c26-18-10-8-17(9-11-18)20-12-14-31(30-20)24-19(7-4-13-28-24)25(34)29-21(22(32)23(27)33)15-16-5-2-1-3-6-16/h1-14,21H,15H2,(H2,27,33)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem	Article PubMed	34	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))	BDBM50258383 (CHEMBL4063636) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H20FN5O3/c26-18-10-8-17(9-11-18)20-12-14-31(30-20)24-19(7-4-13-28-24)25(34)29-21(22(32)23(27)33)15-16-5-2-1-3-6-16/h1-14,21H,15H2,(H2,27,33)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem	Article PubMed	34	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))	BDBM50258383 (CHEMBL4063636) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H20FN5O3/c26-18-10-8-17(9-11-18)20-12-14-31(30-20)24-19(7-4-13-28-24)25(34)29-21(22(32)23(27)33)15-16-5-2-1-3-6-16/h1-14,21H,15H2,(H2,27,33)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem	Article PubMed	34	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))	BDBM50522665 (CHEMBL4456320) Show SMILES COc1cccc(c1CN1[C@H](CCC1=O)C(=O)NC(Cc1ccccc1)C(=O)C(N)=O)C(F)(F)F |r| Show InChI InChI=1S/C24H24F3N3O5/c1-35-19-9-5-8-16(24(25,26)27)15(19)13-30-18(10-11-20(30)31)23(34)29-17(21(32)22(28)33)12-14-6-3-2-4-7-14/h2-9,17-18H,10-13H2,1H3,(H2,28,33)(H,29,34)/t17?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	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))	BDBM50258396 (CHEMBL4075477) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(Cc2ccccc2)n1 Show InChI InChI=1S/C26H23N5O3/c27-24(33)23(32)22(17-19-10-5-2-6-11-19)29-26(34)21-12-7-14-28-25(21)31-15-13-20(30-31)16-18-8-3-1-4-9-18/h1-15,22H,16-17H2,(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	38	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))	BDBM50258338 (CHEMBL4071319) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-c1csc(n1)-c1ccccc1 Show InChI InChI=1S/C25H20N4O3S/c26-23(31)22(30)19(14-16-8-3-1-4-9-16)28-24(32)18-12-7-13-27-21(18)20-15-33-25(29-20)17-10-5-2-6-11-17/h1-13,15,19H,14H2,(H2,26,31)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	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))	BDBM50258349 (CHEMBL4061997) Show SMILES CCCCC(NC(=O)c1cccnc1-n1cnc(c1)-c1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C22H23N5O3/c1-2-3-11-17(19(28)20(23)29)26-22(30)16-10-7-12-24-21(16)27-13-18(25-14-27)15-8-5-4-6-9-15/h4-10,12-14,17H,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 Similars	Article PubMed	38	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))	BDBM50522658 (CHEMBL4591200) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C22H23N3O4/c23-21(28)20(27)17(13-15-7-3-1-4-8-15)24-22(29)18-11-12-19(26)25(18)14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,23,28)(H,24,29)/t17?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	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))	BDBM50258313 (CHEMBL4104445) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H20F3N5O3/c27-26(28,29)18-9-4-8-17(15-18)20-11-13-34(33-20)24-19(10-5-12-31-24)25(37)32-21(22(35)23(30)36)14-16-6-2-1-3-7-16/h1-13,15,21H,14H2,(H2,30,36)(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	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))	BDBM50258382 (CHEMBL4073154) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C30H30N6O4/c31-28(38)27(37)26(19-21-5-2-1-3-6-21)33-30(39)24-7-4-13-32-29(24)36-14-12-25(34-36)23-10-8-22(9-11-23)20-35-15-17-40-18-16-35/h1-14,26H,15-20H2,(H2,31,38)(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	41	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))	BDBM50258393 (CHEMBL4103597) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C26H22N4O3/c27-25(32)24(31)22(17-18-9-3-1-4-10-18)28-26(33)20-13-7-8-14-23(20)30-16-15-21(29-30)19-11-5-2-6-12-19/h1-16,22H,17H2,(H2,27,32)(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	43	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))	BDBM50258319 (CHEMBL4087819) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cnc(c1)-c1ccccc1 Show InChI InChI=1S/C25H21N5O3/c26-23(32)22(31)20(14-17-8-3-1-4-9-17)29-25(33)19-12-7-13-27-24(19)30-15-21(28-16-30)18-10-5-2-6-11-18/h1-13,15-16,20H,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	45	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))	BDBM50258317 (CHEMBL4072233) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2ccccc2n1 Show InChI InChI=1S/C23H19N5O3/c24-21(30)20(29)19(13-15-7-2-1-3-8-15)26-23(31)17-10-6-12-25-22(17)28-14-16-9-4-5-11-18(16)27-28/h1-12,14,19H,13H2,(H2,24,30)(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	46	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))	BDBM50522683 (CHEMBL4456885) Show SMILES CCCCC(NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C19H25N3O4/c1-2-3-9-14(17(24)18(20)25)21-19(26)15-10-11-16(23)22(15)12-13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12H2,1H3,(H2,20,25)(H,21,26)/t14?,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	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))	BDBM50522668 (CHEMBL4454219) Show SMILES Fc1ccc(CNC(=O)C(=O)C(Cc2ccccc2)NC(=O)[C@H]2CCC(=O)N2Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C29H28FN3O4/c30-23-13-11-21(12-14-23)18-31-29(37)27(35)24(17-20-7-3-1-4-8-20)32-28(36)25-15-16-26(34)33(25)19-22-9-5-2-6-10-22/h1-14,24-25H,15-19H2,(H,31,37)(H,32,36)/t24?,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	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))	BDBM50258359 (CHEMBL4080843) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)C1CCOCC1 Show InChI InChI=1S/C24H25N5O4/c25-22(31)21(30)20(15-16-5-2-1-3-6-16)27-24(32)18-7-4-11-26-23(18)29-12-8-19(28-29)17-9-13-33-14-10-17/h1-8,11-12,17,20H,9-10,13-15H2,(H2,25,31)(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	48	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))	BDBM50522680 (CHEMBL4541818) Show SMILES FC(F)(F)Oc1ccccc1CN1[C@H](CCC1=O)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C26H26F3N3O5/c27-26(28,29)37-21-9-5-4-8-17(21)15-32-20(12-13-22(32)33)24(35)31-19(14-16-6-2-1-3-7-16)23(34)25(36)30-18-10-11-18/h1-9,18-20H,10-15H2,(H,30,36)(H,31,35)/t19?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	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))	BDBM50522654 (CHEMBL4546164) Show SMILES C[C@H]1C[C@@H](N(Cc2ccccc2)C1=O)C(=O)NC(Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C23H25N3O4/c1-15-12-19(26(23(15)30)14-17-10-6-3-7-11-17)22(29)25-18(20(27)21(24)28)13-16-8-4-2-5-9-16/h2-11,15,18-19H,12-14H2,1H3,(H2,24,28)(H,25,29)/t15-,18?,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	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))	BDBM50258395 (CHEMBL4073616) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)C1CCCCC1 Show InChI InChI=1S/C25H27N5O3/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/h1,3-4,7-9,12-15,18,21H,2,5-6,10-11,16H2,(H2,26,32)(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	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))	BDBM50258318 (CHEMBL4066494) Show SMILES CCN(CC)Cc1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1 Show InChI InChI=1S/C30H33N3O3/c1-3-33(4-2)21-24-16-14-22(15-17-24)18-19-25-12-8-9-13-26(25)30(36)32-27(28(34)29(31)35)20-23-10-6-5-7-11-23/h5-19,27H,3-4,20-21H2,1-2H3,(H2,31,35)(H,32,36)/b19-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	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))	BDBM50522655 (CHEMBL4518359) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1OC(F)(F)F |r| Show InChI InChI=1S/C23H22F3N3O5/c24-23(25,26)34-18-9-5-4-8-15(18)13-29-17(10-11-19(29)30)22(33)28-16(20(31)21(27)32)12-14-6-2-1-3-7-14/h1-9,16-17H,10-13H2,(H2,27,32)(H,28,33)/t16?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	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))	BDBM50522664 (CHEMBL4440356) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C23H22F3N3O4/c24-23(25,26)16-9-5-4-8-15(16)13-29-18(10-11-19(29)30)22(33)28-17(20(31)21(27)32)12-14-6-2-1-3-7-14/h1-9,17-18H,10-13H2,(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	59	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))	BDBM50522673 (CHEMBL4578614) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCCC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C23H25N3O4/c24-22(29)21(28)18(14-16-8-3-1-4-9-16)25-23(30)19-12-7-13-20(27)26(19)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H2,24,29)(H,25,30)/t18?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	64	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))	BDBM50522679 (CHEMBL4590202) Show SMILES O=C(NC(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1)[C@H]1CCC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N3O4/c32-25-17-16-24(31(25)19-21-12-6-2-7-13-21)27(34)30-23(18-20-10-4-1-5-11-20)26(33)28(35)29-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,35)(H,30,34)/t23?,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	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))	BDBM50258365 (CHEMBL4080204) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H20F3N5O3/c27-26(28,29)18-10-8-17(9-11-18)20-12-14-34(33-20)24-19(7-4-13-31-24)25(37)32-21(22(35)23(30)36)15-16-5-2-1-3-6-16/h1-14,21H,15H2,(H2,30,36)(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	72	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))	BDBM50522669 (CHEMBL4465930) Show SMILES Clc1ccccc1CN1[C@H](CCC1=O)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C25H26ClN3O4/c26-19-9-5-4-8-17(19)15-29-21(12-13-22(29)30)24(32)28-20(14-16-6-2-1-3-7-16)23(31)25(33)27-18-10-11-18/h1-9,18,20-21H,10-15H2,(H,27,33)(H,28,32)/t20?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	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))	BDBM50465144 (CHEMBL4290071) Show SMILES CCCONC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C28H27N5O4/c1-2-18-37-32-28(36)25(34)24(19-20-10-5-3-6-11-20)30-27(35)22-14-9-16-29-26(22)33-17-15-23(31-33)21-12-7-4-8-13-21/h3-17,24H,2,18-19H2,1H3,(H,30,35)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	75	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))	BDBM50258353 (CHEMBL4094243) Show SMILES CC(C)(C)c1ccn(n1)-c1ncccc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C23H25N5O3/c1-23(2,3)18-11-13-28(27-18)21-16(10-7-12-25-21)22(31)26-17(19(29)20(24)30)14-15-8-5-4-6-9-15/h4-13,17H,14H2,1-3H3,(H2,24,30)(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
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))	BDBM50258348 (CHEMBL4073071) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1-c1csc(n1)-c1ccccc1 Show InChI InChI=1S/C26H21N3O3S/c27-24(31)23(30)21(15-17-9-3-1-4-10-17)28-25(32)20-14-8-7-13-19(20)22-16-33-26(29-22)18-11-5-2-6-12-18/h1-14,16,21H,15H2,(H2,27,31)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	82	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))	BDBM50522660 (CHEMBL4593652) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccc(=O)n1Cc1ccccc1 Show InChI InChI=1S/C23H21N3O4/c24-22(29)21(28)18(14-16-8-3-1-4-9-16)25-23(30)19-12-7-13-20(27)26(19)15-17-10-5-2-6-11-17/h1-13,18H,14-15H2,(H2,24,29)(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	82	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))	BDBM50258364 (CHEMBL4075889) Show SMILES COc1ccc(cc1)-c1ccn(n1)-c1ncccc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C26H23N5O4/c1-35-19-11-9-18(10-12-19)21-13-15-31(30-21)25-20(8-5-14-28-25)26(34)29-22(23(32)24(27)33)16-17-6-3-2-4-7-17/h2-15,22H,16H2,1H3,(H2,27,33)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	83	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))	BDBM50258363 (CHEMBL4067197) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20ClN5O3/c26-18-10-8-17(9-11-18)20-12-14-31(30-20)24-19(7-4-13-28-24)25(34)29-21(22(32)23(27)33)15-16-5-2-1-3-6-16/h1-14,21H,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	88	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))	BDBM50465130 (CHEMBL4285615) Show SMILES O=C(NOCC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C29H27N5O4/c35-26(29(37)33-38-19-21-13-14-21)25(18-20-8-3-1-4-9-20)31-28(36)23-12-7-16-30-27(23)34-17-15-24(32-34)22-10-5-2-6-11-22/h1-12,15-17,21,25H,13-14,18-19H2,(H,31,36)(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	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))	BDBM50522670 (CHEMBL4588337) Show SMILES FC(F)(F)c1ccccc1CN1[C@H](CCC1=O)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C26H26F3N3O4/c27-26(28,29)19-9-5-4-8-17(19)15-32-21(12-13-22(32)33)24(35)31-20(14-16-6-2-1-3-7-16)23(34)25(36)30-18-10-11-18/h1-9,18,20-21H,10-15H2,(H,30,36)(H,31,35)/t20?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	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))	BDBM50258358 (CHEMBL4104332) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)C1CC1 Show InChI InChI=1S/C22H21N5O3/c23-20(29)19(28)18(13-14-5-2-1-3-6-14)25-22(30)16-7-4-11-24-21(16)27-12-10-17(26-27)15-8-9-15/h1-7,10-12,15,18H,8-9,13H2,(H2,23,29)(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	94	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))	BDBM50258316 (CHEMBL4094544) Show SMILES CCN(CC)Cc1ccc(cc1)-c1ccn(n1)-c1ncccc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C30H32N6O3/c1-3-35(4-2)20-22-12-14-23(15-13-22)25-16-18-36(34-25)29-24(11-8-17-32-29)30(39)33-26(27(37)28(31)38)19-21-9-6-5-7-10-21/h5-18,26H,3-4,19-20H2,1-2H3,(H2,31,38)(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	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))	BDBM50522676 (CHEMBL4476684) Show SMILES CN1C[C@@H](N(Cc2ccccc2)C1=O)C(=O)NC(Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C22H24N4O4/c1-25-14-18(26(22(25)30)13-16-10-6-3-7-11-16)21(29)24-17(19(27)20(23)28)12-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3,(H2,23,28)(H,24,29)/t17?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	101	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))	BDBM50258361 (CHEMBL4095627) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2CCCCc2n1 Show InChI InChI=1S/C23H23N5O3/c24-21(30)20(29)19(13-15-7-2-1-3-8-15)26-23(31)17-10-6-12-25-22(17)28-14-16-9-4-5-11-18(16)27-28/h1-3,6-8,10,12,14,19H,4-5,9,11,13H2,(H2,24,30)(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	101	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))	BDBM50258355 (CHEMBL4076893) Show SMILES CCN(CC)Cc1ccc(\C=C\c2ncccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1 Show InChI InChI=1S/C29H32N4O3/c1-3-33(4-2)20-23-14-12-21(13-15-23)16-17-25-24(11-8-18-31-25)29(36)32-26(27(34)28(30)35)19-22-9-6-5-7-10-22/h5-18,26H,3-4,19-20H2,1-2H3,(H2,30,35)(H,32,36)/b17-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	109	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))	BDBM50465141 (CHEMBL4290469) Show SMILES O=C(NCc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C32H27N5O3/c38-29(32(40)34-22-24-13-6-2-7-14-24)28(21-23-11-4-1-5-12-23)35-31(39)26-17-10-19-33-30(26)37-20-18-27(36-37)25-15-8-3-9-16-25/h1-20,28H,21-22H2,(H,34,40)(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	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

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