Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50010932   

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))	BDBM50543556 (CHEMBL4647187) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(\C=C\c2ccccc2)cc1)C(C)C)C(=O)C(N)=O |r| Show InChI InChI=1S/C26H33N3O5S/c1-17(2)16-22(24(30)25(27)31)28-26(32)23(18(3)4)29-35(33,34)21-14-12-20(13-15-21)11-10-19-8-6-5-7-9-19/h5-15,17-18,22-23,29H,16H2,1-4H3,(H2,27,31)(H,28,32)/b11-10+/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	9	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 Inhibition of mu-calpain in porcine erythrocyte using Suc-Leu-Tyr-AMC as substrate by microtiter plate assay based Dixon plot analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115433 BindingDB Entry DOI: 10.7270/Q2JM2F55
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	10	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 Inhibition of mu-calpain in porcine erythrocyte using Suc-Leu-Tyr-AMC as substrate by microtiter plate assay based Dixon plot analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115433 BindingDB Entry DOI: 10.7270/Q2JM2F55
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50543555 (CHEMBL4642092) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(\C=C\c2ccccc2)cc1)C(C)C)C=O |r| Show InChI InChI=1S/C25H32N2O4S/c1-18(2)16-22(17-28)26-25(29)24(19(3)4)27-32(30,31)23-14-12-21(13-15-23)11-10-20-8-6-5-7-9-20/h5-15,17-19,22,24,27H,16H2,1-4H3,(H,26,29)/b11-10+/t22-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	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 Inhibition of mu-calpain in porcine erythrocyte using Suc-Leu-Tyr-AMC as substrate by microtiter plate assay based Dixon plot analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115433 BindingDB Entry DOI: 10.7270/Q2JM2F55
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50543554 (CHEMBL4646991) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)\N=N\c1ccccc1)C(C)C)C(=O)C(N)=O |r| Show InChI InChI=1S/C24H31N5O5S/c1-15(2)14-20(22(30)23(25)31)26-24(32)21(16(3)4)29-35(33,34)19-12-10-18(11-13-19)28-27-17-8-6-5-7-9-17/h5-13,15-16,20-21,29H,14H2,1-4H3,(H2,25,31)(H,26,32)/b28-27+/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	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 Inhibition of mu-calpain in porcine erythrocyte using Suc-Leu-Tyr-AMC as substrate by microtiter plate assay based Dixon plot analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115433 BindingDB Entry DOI: 10.7270/Q2JM2F55
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50543552 (CHEMBL4642290) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)\N=N\c1ccccc1)C(C)C)C=O |r| Show InChI InChI=1S/C23H30N4O4S/c1-16(2)14-20(15-28)24-23(29)22(17(3)4)27-32(30,31)21-12-10-19(11-13-21)26-25-18-8-6-5-7-9-18/h5-13,15-17,20,22,27H,14H2,1-4H3,(H,24,29)/b26-25+/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	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 Inhibition of mu-calpain in porcine erythrocyte using Suc-Leu-Tyr-AMC as substrate by microtiter plate assay based Dixon plot analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115433 BindingDB Entry DOI: 10.7270/Q2JM2F55
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50543553 (CHEMBL4640485) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)\N=N\c1ccccc1)C=O |r| Show InChI InChI=1S/C23H28N4O4S/c1-17(2)15-20(16-28)24-23(29)22-9-6-14-27(22)32(30,31)21-12-10-19(11-13-21)26-25-18-7-4-3-5-8-18/h3-5,7-8,10-13,16-17,20,22H,6,9,14-15H2,1-2H3,(H,24,29)/b26-25+/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	273	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 Inhibition of mu-calpain in porcine erythrocyte using Suc-Leu-Tyr-AMC as substrate by microtiter plate assay based Dixon plot analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115433 BindingDB Entry DOI: 10.7270/Q2JM2F55
					More data for this Ligand-Target Pair