Compile Data Set for Download or QSAR

Found 15 hits of ic50 data for polymerid = 2436   

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 (Sus scrofa (pig))	BDBM50114340 ((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O |r| Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against porcine erythrocyte Mu-calpain				Bioorg Med Chem Lett 12: 1603-6 (2002) BindingDB Entry DOI: 10.7270/Q20K27WS
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50114336 ((S)-2-(4-Fluoro-benzenesulfonylamino)-N-{(S)-1-[(2...) Show SMILES CC(C)C[C@@H](CNNCC=O)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C19H31FN4O4S/c1-13(2)11-16(12-22-21-9-10-25)23-19(26)18(14(3)4)24-29(27,28)17-7-5-15(20)6-8-17/h5-8,10,13-14,16,18,21-22,24H,9,11-12H2,1-4H3,(H,23,26)/t16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against porcine erythrocyte Mu-calpain				Bioorg Med Chem Lett 12: 1603-6 (2002) BindingDB Entry DOI: 10.7270/Q20K27WS
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50114342 ((E)-2-(dimethylamino)-N'-((S)-2-((S)-2-(4-fluoroph...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=NNC(=O)CN(C)C |w:24.25| Show InChI InChI=1S/C21H34FN5O4S/c1-14(2)11-17(12-23-25-19(28)13-27(5)6)24-21(29)20(15(3)4)26-32(30,31)18-9-7-16(22)8-10-18/h7-10,12,14-15,17,20,26H,11,13H2,1-6H3,(H,24,29)(H,25,28)/t17-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against porcine erythrocyte Mu-calpain				Bioorg Med Chem Lett 12: 1603-6 (2002) BindingDB Entry DOI: 10.7270/Q20K27WS
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50114341 ((2S)-N-((1S)-1-{(E)-[(aminocarbonyl)hydrazono]meth...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=NNC(N)=O |w:24.25| Show InChI InChI=1S/C18H28FN5O4S/c1-11(2)9-14(10-21-23-18(20)26)22-17(25)16(12(3)4)24-29(27,28)15-7-5-13(19)6-8-15/h5-8,10-12,14,16,24H,9H2,1-4H3,(H,22,25)(H3,20,23,26)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against porcine erythrocyte Mu-calpain				Bioorg Med Chem Lett 12: 1603-6 (2002) BindingDB Entry DOI: 10.7270/Q20K27WS
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50114337 ((S)-2-(4-Fluoro-benzenesulfonylamino)-3-methyl-N-{...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=NN1CCOCC1 |w:24.25| Show InChI InChI=1S/C21H33FN4O4S/c1-15(2)13-18(14-23-26-9-11-30-12-10-26)24-21(27)20(16(3)4)25-31(28,29)19-7-5-17(22)6-8-19/h5-8,14-16,18,20,25H,9-13H2,1-4H3,(H,24,27)/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against porcine erythrocyte Mu-calpain				Bioorg Med Chem Lett 12: 1603-6 (2002) BindingDB Entry DOI: 10.7270/Q20K27WS
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50114339 ((S)-2-(4-Fluoro-benzenesulfonylamino)-3-methyl-N-{...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCC=NN1CCOCC1 |w:20.21| Show InChI InChI=1S/C17H25FN4O4S/c1-13(2)16(21-27(24,25)15-5-3-14(18)4-6-15)17(23)19-7-8-20-22-9-11-26-12-10-22/h3-6,8,13,16,21H,7,9-12H2,1-2H3,(H,19,23)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against porcine erythrocyte Mu-calpain				Bioorg Med Chem Lett 12: 1603-6 (2002) BindingDB Entry DOI: 10.7270/Q20K27WS
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50363928 (CHEMBL1951575) Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1 Show InChI InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of full length porcine Calpain-1 complex using (H2NeK(-FAM)-EVYGMMK(DABCYL)eOH) substrate by FRET assay				Eur J Med Chem 157: 1264-1275 (2018) Article DOI: 10.1016/j.ejmech.2018.08.049 BindingDB Entry DOI: 10.7270/Q2XG9TSG
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50114338 ((S)-N-{2-[(2-Dimethylamino-acetyl)-hydrazono]-ethy...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCC=NNC(=O)CN(C)C |w:20.21| Show InChI InChI=1S/C17H26FN5O4S/c1-12(2)16(22-28(26,27)14-7-5-13(18)6-8-14)17(25)19-9-10-20-21-15(24)11-23(3)4/h5-8,10,12,16,22H,9,11H2,1-4H3,(H,19,25)(H,21,24)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against porcine erythrocyte Mu-calpain				Bioorg Med Chem Lett 12: 1603-6 (2002) BindingDB Entry DOI: 10.7270/Q20K27WS
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50466172 (CHEMBL366254 | PD-150606) Show SMILES OC(=O)C(\S)=C\c1ccc(I)cc1 Show InChI InChI=1S/C9H7IO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of porcine Calpain-1 active site domain using (H2NeK(-FAM)-EVYGMMK(DABCYL)eOH) substrate by FRET assay				Eur J Med Chem 157: 1264-1275 (2018) Article DOI: 10.1016/j.ejmech.2018.08.049 BindingDB Entry DOI: 10.7270/Q2XG9TSG
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50466172 (CHEMBL366254 | PD-150606) Show SMILES OC(=O)C(\S)=C\c1ccc(I)cc1 Show InChI InChI=1S/C9H7IO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of full length porcine Calpain-1 complex using (H2NeK(-FAM)-EVYGMMK(DABCYL)eOH) substrate by FRET assay				Eur J Med Chem 157: 1264-1275 (2018) Article DOI: 10.1016/j.ejmech.2018.08.049 BindingDB Entry DOI: 10.7270/Q2XG9TSG
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50466175 (CHEMBL4289886) Show SMILES FC(F)(F)c1ccc(CSc2nnc3ccc(nn23)-c2ccccn2)cc1 Show InChI InChI=1S/C18H12F3N5S/c19-18(20,21)13-6-4-12(5-7-13)11-27-17-24-23-16-9-8-15(25-26(16)17)14-3-1-2-10-22-14/h1-10H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of full length porcine Calpain-1 complex using (H2NeK(-FAM)-EVYGMMK(DABCYL)eOH) substrate by FRET assay				Eur J Med Chem 157: 1264-1275 (2018) Article DOI: 10.1016/j.ejmech.2018.08.049 BindingDB Entry DOI: 10.7270/Q2XG9TSG
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50466174 (CHEMBL4293475) Show SMILES FC(F)(F)c1cccc(NC(=O)CSc2nnc3ccc(nn23)-c2ccccn2)c1 Show InChI InChI=1S/C19H13F3N6OS/c20-19(21,22)12-4-3-5-13(10-12)24-17(29)11-30-18-26-25-16-8-7-15(27-28(16)18)14-6-1-2-9-23-14/h1-10H,11H2,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of full length porcine Calpain-1 complex using (H2NeK(-FAM)-EVYGMMK(DABCYL)eOH) substrate by FRET assay				Eur J Med Chem 157: 1264-1275 (2018) Article DOI: 10.1016/j.ejmech.2018.08.049 BindingDB Entry DOI: 10.7270/Q2XG9TSG
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50466173 (CHEMBL4288775) Show SMILES OC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CCCCCC1 Show InChI InChI=1S/C18H20FN3O4S/c19-13-5-7-15(8-6-13)27(25,26)21-14-11-16(18(23)24)17(20-12-14)22-9-3-1-2-4-10-22/h5-8,11-12,21H,1-4,9-10H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of porcine Calpain-1 active site domain using (H2NeK(-FAM)-EVYGMMK(DABCYL)eOH) substrate by FRET assay				Eur J Med Chem 157: 1264-1275 (2018) Article DOI: 10.1016/j.ejmech.2018.08.049 BindingDB Entry DOI: 10.7270/Q2XG9TSG
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50466173 (CHEMBL4288775) Show SMILES OC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CCCCCC1 Show InChI InChI=1S/C18H20FN3O4S/c19-13-5-7-15(8-6-13)27(25,26)21-14-11-16(18(23)24)17(20-12-14)22-9-3-1-2-4-10-22/h5-8,11-12,21H,1-4,9-10H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of full length porcine Calpain-1 complex using (H2NeK(-FAM)-EVYGMMK(DABCYL)eOH) substrate by FRET assay				Eur J Med Chem 157: 1264-1275 (2018) Article DOI: 10.1016/j.ejmech.2018.08.049 BindingDB Entry DOI: 10.7270/Q2XG9TSG
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50363928 (CHEMBL1951575) Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1 Show InChI InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of porcine Calpain-1 active site domain using (H2NeK(-FAM)-EVYGMMK(DABCYL)eOH) substrate by FRET assay				Eur J Med Chem 157: 1264-1275 (2018) Article DOI: 10.1016/j.ejmech.2018.08.049 BindingDB Entry DOI: 10.7270/Q2XG9TSG
					More data for this Ligand-Target Pair