Compile Data Set for Download or QSAR

Found 394 hits with Last Name = 'fernández' and Initial = 'm'   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357453 (CHEMBL1917719) Show SMILES CC(CCN1CCCCC1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H27N/c1-18(14-17-22-15-6-3-7-16-22)19-10-12-21(13-11-19)20-8-4-2-5-9-20/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357441 (CHEMBL1917705) Show SMILES C\C(=C/CN1CCCCC1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H25N/c1-18(14-17-22-15-6-3-7-16-22)19-10-12-21(13-11-19)20-8-4-2-5-9-20/h2,4-5,8-14H,3,6-7,15-17H2,1H3/b18-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357440 (CHEMBL1917704) Show SMILES C\C(=C/CN1CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-16(11-14-20-12-5-2-6-13-20)18-10-9-17-7-3-4-8-19(17)15-18/h3-4,7-11,15H,2,5-6,12-14H2,1H3/b16-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357430 (CHEMBL1917711) Show SMILES C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H27N/c1-19(22-10-6-3-7-11-22)12-15-23-16-13-21(14-17-23)18-20-8-4-2-5-9-20/h2-12,21H,13-18H2,1H3/b19-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50198061 ((E)-N,N-dimethyl-3-(biphen-4-yl)but-2-en-1-ylamine...) Show SMILES CN(C)C\C=C(/C)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H21N/c1-15(13-14-19(2)3)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3/b15-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357431 (CHEMBL1917712) Show SMILES COc1ccc(cc1)C(\C)=C\CN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H29NO/c1-19(22-8-10-23(25-2)11-9-22)12-15-24-16-13-21(14-17-24)18-20-6-4-3-5-7-20/h3-12,21H,13-18H2,1-2H3/b19-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357429 (CHEMBL1917702) Show SMILES COc1ccc(cc1)C(\C)=C\CN(C)Cc1ccccc1 Show InChI InChI=1S/C19H23NO/c1-16(18-9-11-19(21-3)12-10-18)13-14-20(2)15-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3/b16-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50198065 (4(E)-N-Benzyl-3-(biphenyl-4-yl)-N-methylbut-2-en-1...) Show SMILES CN(C\C=C(/C)c1ccc(cc1)-c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C24H25N/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23/h3-17H,18-19H2,1-2H3/b20-17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357446 (CHEMBL1917710) Show SMILES C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H31N/c1-23(26-12-14-28(15-13-26)27-10-6-3-7-11-27)16-19-29-20-17-25(18-21-29)22-24-8-4-2-5-9-24/h2-16,25H,17-22H2,1H3/b23-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357447 (CHEMBL1917713) Show SMILES COc1cccc(c1)C(\C)=C\CN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H29NO/c1-19(22-9-6-10-23(18-22)25-2)11-14-24-15-12-21(13-16-24)17-20-7-4-3-5-8-20/h3-11,18,21H,12-17H2,1-2H3/b19-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50198058 ((E)-N-benzyl-N-methyl-3-(naphthalen-2-yl)but-2-en-...) Show SMILES CN(C\C=C(/C)c1ccc2ccccc2c1)Cc1ccccc1 Show InChI InChI=1S/C22H23N/c1-18(14-15-23(2)17-19-8-4-3-5-9-19)21-13-12-20-10-6-7-11-22(20)16-21/h3-14,16H,15,17H2,1-2H3/b18-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357448 (CHEMBL1917714) Show SMILES C\C(=C/CN1CCOCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C18H21NO/c1-15(8-9-19-10-12-20-13-11-19)17-7-6-16-4-2-3-5-18(16)14-17/h2-8,14H,9-13H2,1H3/b15-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50380548 (CHEMBL2019055) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C39H60N8O14/c1-18(2)12-24(43-36(57)25(16-29(41)49)45-38(59)32(19(3)4)47-35(56)23(40)15-30(50)51)28(48)13-20(5)33(54)42-21(6)34(55)44-26(17-31(52)53)37(58)46-27(39(60)61)14-22-10-8-7-9-11-22/h7-11,18-21,23-28,32,48H,12-17,40H2,1-6H3,(H2,41,49)(H,42,54)(H,43,57)(H,44,55)(H,45,59)(H,46,58)(H,47,56)(H,50,51)(H,52,53)(H,60,61)/t20-,21+,23+,24+,25+,26+,27+,28+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant BChE using panvera peptide as substrate preincubated for 60 mins before substrate addition by FRET assay				J Med Chem 55: 1303-17 (2012) Article DOI: 10.1021/jm201460y BindingDB Entry DOI: 10.7270/Q2M32WS2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357432 (CHEMBL1917703) Show SMILES COc1cccc(c1)C(\C)=C\CN(C)Cc1ccccc1 Show InChI InChI=1S/C19H23NO/c1-16(18-10-7-11-19(14-18)21-3)12-13-20(2)15-17-8-5-4-6-9-17/h4-12,14H,13,15H2,1-3H3/b16-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357449 (CHEMBL1917715) Show SMILES C\C(=C/CN1CCOCC1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H23NO/c1-17(11-12-21-13-15-22-16-14-21)18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-11H,12-16H2,1H3/b17-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357443 (CHEMBL1917707) Show SMILES COc1ccc(cc1)C(\C)=C\CN1CCCCC1 Show InChI InChI=1S/C16H23NO/c1-14(10-13-17-11-4-3-5-12-17)15-6-8-16(18-2)9-7-15/h6-10H,3-5,11-13H2,1-2H3/b14-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50198068 ((E)-N,N-dimethyl-3-(naphthalen-2-yl)but-2-en-1-ami...) Show SMILES CN(C)C\C=C(/C)c1ccc2ccccc2c1 Show InChI InChI=1S/C16H19N/c1-13(10-11-17(2)3)15-9-8-14-6-4-5-7-16(14)12-15/h4-10,12H,11H2,1-3H3/b13-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326300 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)nc(OC)nc12 |r| Show InChI InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357445 (CHEMBL1917709) Show SMILES C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H29N/c1-21(25-12-11-24-9-5-6-10-26(24)20-25)13-16-27-17-14-23(15-18-27)19-22-7-3-2-4-8-22/h2-13,20,23H,14-19H2,1H3/b21-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326298 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1 |r| Show InChI InChI=1S/C33H40N8O6/c1-21(2)17-25(38-33(45)47-19-23-13-8-5-9-14-23)30(43)37-24(18-22-11-6-4-7-12-22)27(42)31(44)35-15-10-16-41-20-36-26-28(34)39-32(46-3)40-29(26)41/h4-9,11-14,20-21,24-25H,10,15-19H2,1-3H3,(H,35,44)(H,37,43)(H,38,45)(H2,34,39,40)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50084684 (CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...) Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H40N4O6/c1-4-21(23(31)25(33)27-11-8-12-30-13-15-35-16-14-30)28-24(32)22(17-19(2)3)29-26(34)36-18-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)/t21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326303 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326304 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326304 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326303 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19?,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326300 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)nc(OC)nc12 |r| Show InChI InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357444 (CHEMBL1917708) Show SMILES COc1cccc(c1)C(\C)=C\CN1CCCCC1 Show InChI InChI=1S/C16H23NO/c1-14(9-12-17-10-4-3-5-11-17)15-7-6-8-16(13-15)18-2/h6-9,13H,3-5,10-12H2,1-2H3/b14-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357428 (CHEMBL1917701) Show SMILES CN(C\C=C(/C)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C18H21N/c1-16(18-11-7-4-8-12-18)13-14-19(2)15-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3/b16-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50357429 (CHEMBL1917702) Show SMILES COc1ccc(cc1)C(\C)=C\CN(C)Cc1ccccc1 Show InChI InChI=1S/C19H23NO/c1-16(18-9-11-19(21-3)12-10-18)13-14-20(2)15-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3/b16-13+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50357428 (CHEMBL1917701) Show SMILES CN(C\C=C(/C)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C18H21N/c1-16(18-11-7-4-8-12-18)13-14-19(2)15-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3/b16-13+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50357431 (CHEMBL1917712) Show SMILES COc1ccc(cc1)C(\C)=C\CN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H29NO/c1-19(22-8-10-23(25-2)11-9-22)12-15-24-16-13-21(14-17-24)18-20-6-4-3-5-7-20/h3-12,21H,13-18H2,1-2H3/b19-12+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50084684 (CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...) Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H40N4O6/c1-4-21(23(31)25(33)27-11-8-12-30-13-15-35-16-14-30)28-24(32)22(17-19(2)3)29-26(34)36-18-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50357430 (CHEMBL1917711) Show SMILES C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H27N/c1-19(22-10-6-3-7-11-22)12-15-23-16-13-21(14-17-23)18-20-8-4-2-5-9-20/h2-12,21H,13-18H2,1H3/b19-12+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50357431 (CHEMBL1917712) Show SMILES COc1ccc(cc1)C(\C)=C\CN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H29NO/c1-19(22-8-10-23(25-2)11-9-22)12-15-24-16-13-21(14-17-24)18-20-6-4-3-5-7-20/h3-12,21H,13-18H2,1-2H3/b19-12+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326299 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50357430 (CHEMBL1917711) Show SMILES C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H27N/c1-19(22-10-6-3-7-11-22)12-15-23-16-13-21(14-17-23)18-20-8-4-2-5-9-20/h2-12,21H,13-18H2,1H3/b19-12+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50357429 (CHEMBL1917702) Show SMILES COc1ccc(cc1)C(\C)=C\CN(C)Cc1ccccc1 Show InChI InChI=1S/C19H23NO/c1-16(18-9-11-19(21-3)12-10-18)13-14-20(2)15-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3/b16-13+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326298 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1 |r| Show InChI InChI=1S/C33H40N8O6/c1-21(2)17-25(38-33(45)47-19-23-13-8-5-9-14-23)30(43)37-24(18-22-11-6-4-7-12-22)27(42)31(44)35-15-10-16-41-20-36-26-28(34)39-32(46-3)40-29(26)41/h4-9,11-14,20-21,24-25H,10,15-19H2,1-3H3,(H,35,44)(H,37,43)(H,38,45)(H2,34,39,40)/t24?,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50357447 (CHEMBL1917713) Show SMILES COc1cccc(c1)C(\C)=C\CN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H29NO/c1-19(22-9-6-10-23(18-22)25-2)11-14-24-15-12-21(13-16-24)17-20-7-4-3-5-8-20/h3-11,18,21H,12-17H2,1-2H3/b19-11+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326306 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethyl...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C |r| Show InChI InChI=1S/C29H40N4O5/c1-21(2)18-25(32-29(37)38-20-23-14-9-6-10-15-23)27(35)31-24(19-22-12-7-5-8-13-22)26(34)28(36)30-16-11-17-33(3)4/h5-10,12-15,21,24-25H,11,16-20H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	226	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326302 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C27H43N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-23H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22?,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50357432 (CHEMBL1917703) Show SMILES COc1cccc(c1)C(\C)=C\CN(C)Cc1ccccc1 Show InChI InChI=1S/C19H23NO/c1-16(18-10-7-11-19(14-18)21-3)12-13-20(2)15-17-8-5-4-6-9-17/h4-12,14H,13,15H2,1-3H3/b16-12+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	301	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50357428 (CHEMBL1917701) Show SMILES CN(C\C=C(/C)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C18H21N/c1-16(18-11-7-4-8-12-18)13-14-19(2)15-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3/b16-13+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	438	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326301 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	438	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50326301 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357442 (CHEMBL1917706) Show SMILES C\C(=C/CN1CCCCC1)c1ccccc1 Show InChI InChI=1S/C15H21N/c1-14(15-8-4-2-5-9-15)10-13-16-11-6-3-7-12-16/h2,4-5,8-10H,3,6-7,11-13H2,1H3/b14-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	459	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting				Bioorg Med Chem 19: 6210-24 (2011) Article DOI: 10.1016/j.bmc.2011.09.016 BindingDB Entry DOI: 10.7270/Q2VH5P7V
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326301 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50380542 (CHEMBL2019037) Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C35H43N3O5/c1-41-24-21-30(42-2)33-29(39)23-32(43-31(33)22-24)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-25-15-9-11-17-27(25)38-28-18-12-10-16-26(28)34/h9,11,15,17,21-23H,3-8,10,12-14,16,18-20H2,1-2H3,(H,36,38)(H,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant BChE using panvera peptide as substrate preincubated for 60 mins before substrate addition by FRET assay				J Med Chem 55: 1303-17 (2012) Article DOI: 10.1021/jm201460y BindingDB Entry DOI: 10.7270/Q2M32WS2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326302 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C27H43N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-23H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22?,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326305 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(2-(dimethyl...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCN(C)C |r| Show InChI InChI=1S/C28H38N4O5/c1-20(2)17-24(31-28(36)37-19-22-13-9-6-10-14-22)26(34)30-23(18-21-11-7-5-8-12-21)25(33)27(35)29-15-16-32(3)4/h5-14,20,23-24H,15-19H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)/t23?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	711	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair

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