Compile Data Set for Download or QSAR

Found 303 hits with Last Name = 'schmitz' and Initial = 'j'   

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 D (Homo sapiens (Human))	BDBM50030745 (CHEMBL3342185 | acs.jmedchem.1c00409_ST.412) Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C#N Show InChI InChI=1S/C22H26N4O3/c1-22(2,3)29-21(28)24-26(17-23)16-20(27)25(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13H,14-16H2,1-3H3,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins				ACS Med Chem Lett 5: 1076-81 (2014) Article DOI: 10.1021/ml500238q BindingDB Entry DOI: 10.7270/Q20P11NT
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50030746 (CHEMBL3342184 | acs.jmedchem.1c00409_ST.413) Show SMILES CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C#N Show InChI InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.00420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins				ACS Med Chem Lett 5: 1076-81 (2014) Article DOI: 10.1021/ml500238q BindingDB Entry DOI: 10.7270/Q20P11NT
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50030747 (CHEMBL3342183) Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C12H20N4O4/c1-12(2,3)20-11(18)14-16(9-13)8-10(17)15-4-6-19-7-5-15/h4-8H2,1-3H3,(H,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins				ACS Med Chem Lett 5: 1076-81 (2014) Article DOI: 10.1021/ml500238q BindingDB Entry DOI: 10.7270/Q20P11NT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50030745 (CHEMBL3342185 | acs.jmedchem.1c00409_ST.412) Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C#N Show InChI InChI=1S/C22H26N4O3/c1-22(2,3)29-21(28)24-26(17-23)16-20(27)25(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13H,14-16H2,1-3H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using Z-Phe-Arg-AMC fluorogenic substrate fluorogenic substrate incubated for 60 mins				ACS Med Chem Lett 5: 1076-81 (2014) Article DOI: 10.1021/ml500238q BindingDB Entry DOI: 10.7270/Q20P11NT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50030746 (CHEMBL3342184 | acs.jmedchem.1c00409_ST.413) Show SMILES CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C#N Show InChI InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using Z-Phe-Arg-AMC fluorogenic substrate fluorogenic substrate incubated for 60 mins				ACS Med Chem Lett 5: 1076-81 (2014) Article DOI: 10.1021/ml500238q BindingDB Entry DOI: 10.7270/Q20P11NT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50241132 (3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...) Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50030745 (CHEMBL3342185 | acs.jmedchem.1c00409_ST.412) Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C#N Show InChI InChI=1S/C22H26N4O3/c1-22(2,3)29-21(28)24-26(17-23)16-20(27)25(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13H,14-16H2,1-3H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.406	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin B using Z-Arg-Arg-pNA chromogenic substrate fluorogenic substrate incubated for 30 mins				ACS Med Chem Lett 5: 1076-81 (2014) Article DOI: 10.1021/ml500238q BindingDB Entry DOI: 10.7270/Q20P11NT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50241132 (3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...) Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.427	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50241132 (3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...) Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 W422A mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50030746 (CHEMBL3342184 | acs.jmedchem.1c00409_ST.413) Show SMILES CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C#N Show InChI InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.459	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin B using Z-Arg-Arg-pNA chromogenic substrate fluorogenic substrate incubated for 30 mins				ACS Med Chem Lett 5: 1076-81 (2014) Article DOI: 10.1021/ml500238q BindingDB Entry DOI: 10.7270/Q20P11NT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50392215 (CHEMBL2153161) Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N |r| Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 80 mins by spectrophotometric analysis				J Med Chem 55: 5982-6 (2012) Article DOI: 10.1021/jm300734k BindingDB Entry DOI: 10.7270/Q2833T40
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50392215 (CHEMBL2153161) Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N |r| Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 80 mins by fluorimetric analysis				J Med Chem 55: 5982-6 (2012) Article DOI: 10.1021/jm300734k BindingDB Entry DOI: 10.7270/Q2833T40
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50510762 (CHEMBL4442025) Show SMILES CC(C)CC(NC(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(=O)N(C)N(C)C#N Show InChI InChI=1S/C28H30N4O2/c1-20(2)18-26(28(34)32(4)31(3)19-29)30-27(33)25-16-14-24(15-17-25)23-12-10-22(11-13-23)21-8-6-5-7-9-21/h5-17,20,26H,18H2,1-4H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Z-Phe-Arg-AMC as substrate incubated for 30 mins by fluorescence based assay				Bioorg Med Chem 27: 1-15 (2019) Article DOI: 10.1016/j.bmc.2018.10.017 BindingDB Entry DOI: 10.7270/Q21G0QK2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50241132 (3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...) Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.724	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50030747 (CHEMBL3342183) Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C12H20N4O4/c1-12(2,3)20-11(18)14-16(9-13)8-10(17)15-4-6-19-7-5-15/h4-8H2,1-3H3,(H,14,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.777	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using Z-Phe-Arg-AMC fluorogenic substrate fluorogenic substrate incubated for 60 mins				ACS Med Chem Lett 5: 1076-81 (2014) Article DOI: 10.1021/ml500238q BindingDB Entry DOI: 10.7270/Q20P11NT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50241132 (3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...) Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M5 receptor expressed in CHO-K1 cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50168941 (CHEMBL3804928) Show SMILES OC(=O)CCn1cc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r| Show InChI InChI=1S/C26H28N6O6/c27-14-21(17-37-18-22-15-32(31-30-22)12-11-24(33)34)28-25(35)23(13-19-7-3-1-4-8-19)29-26(36)38-16-20-9-5-2-6-10-20/h1-10,15,21,23H,11-13,16-18H2,(H,28,35)(H,29,36)(H,33,34)/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin L using Cbz-Phe-Arg-pNA as substrate incubated for 30 mins measured for 20 mins by photometrical analysis				ACS Med Chem Lett 7: 211-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00474 BindingDB Entry DOI: 10.7270/Q2TH8PMM
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM19855 (Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...) Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins				ACS Med Chem Lett 5: 1076-81 (2014) Article DOI: 10.1021/ml500238q BindingDB Entry DOI: 10.7270/Q20P11NT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50452855 (Isoptpo Hyoscine | Scopolamine) Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M5 receptor expressed in CHO-K1 cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497843 (CHEMBL1197177) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C |r,TLB:9:7:21:2.3| Show InChI InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1/t14-,15-,17?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50510761 (CHEMBL4440655) Show SMILES CC(C)CC(NC(=O)c1ccc(Br)cc1)C(=O)N(C)N(C)C#N Show InChI InChI=1S/C16H21BrN4O2/c1-11(2)9-14(16(23)21(4)20(3)10-18)19-15(22)12-5-7-13(17)8-6-12/h5-8,11,14H,9H2,1-4H3,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Z-Phe-Arg-AMC as substrate incubated for 30 mins by fluorescence based assay				Bioorg Med Chem 27: 1-15 (2019) Article DOI: 10.1016/j.bmc.2018.10.017 BindingDB Entry DOI: 10.7270/Q21G0QK2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 |t:9| Show InChI InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 |t:9| Show InChI InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497842 (CHEMBL3323281) Show SMILES [Br-].[Br-].[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23 |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(21.93,-8.07,;23.41,-4.94,;22,-13.38,;21.94,-11.51,;20.57,-12.24,;20.27,-13.74,;21.3,-13.01,;21.9,-14.78,;22.76,-12.95,;23.79,-13.7,;23.41,-12.18,;23.79,-15.22,;25.09,-15.95,;25.09,-17.44,;26.38,-15.2,;26.38,-13.7,;27.7,-12.97,;27.7,-15.95,;29,-15.2,;30.29,-15.95,;30.29,-17.44,;29,-18.19,;27.7,-17.44,;20.8,-10.36,;20.1,-9.04,;19.25,-10.36,;18.48,-9.02,;16.94,-9.02,;16.16,-7.68,;14.62,-7.68,;13.85,-6.35,;12.29,-6.34,;11.89,-4.84,;13.39,-5.24,;11.53,-7.68,;9.99,-7.69,;8.64,-6.92,;9.98,-6.14,;9.22,-9.04,;7.68,-9.04,;6.91,-10.39,;7.68,-11.72,;5.36,-10.39,;4.6,-11.72,;3.06,-11.73,;2.28,-10.39,;3.05,-9.07,;2.27,-7.74,;3.04,-6.39,;4.58,-6.39,;5.35,-7.72,;6.89,-7.71,;6.88,-6.16,;4.59,-9.06,)| Show InChI InChI=1S/C42H57N3O5.2BrH/c1-42(2,28-43-39(47)35-19-13-17-31-18-14-20-36(38(31)35)40(43)48)29-44(3,4)23-11-6-7-12-24-45(5)32-21-22-33(45)26-34(25-32)50-41(49)37(27-46)30-15-9-8-10-16-30;;/h8-10,13-20,32-34,37,46H,6-7,11-12,21-29H2,1-5H3;2*1H/q+2;;/p-2/t32-,33-,34-,37?,45?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497835 (ENDO-ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1 Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 W422A mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497842 (CHEMBL3323281) Show SMILES [Br-].[Br-].[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23 |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(21.93,-8.07,;23.41,-4.94,;22,-13.38,;21.94,-11.51,;20.57,-12.24,;20.27,-13.74,;21.3,-13.01,;21.9,-14.78,;22.76,-12.95,;23.79,-13.7,;23.41,-12.18,;23.79,-15.22,;25.09,-15.95,;25.09,-17.44,;26.38,-15.2,;26.38,-13.7,;27.7,-12.97,;27.7,-15.95,;29,-15.2,;30.29,-15.95,;30.29,-17.44,;29,-18.19,;27.7,-17.44,;20.8,-10.36,;20.1,-9.04,;19.25,-10.36,;18.48,-9.02,;16.94,-9.02,;16.16,-7.68,;14.62,-7.68,;13.85,-6.35,;12.29,-6.34,;11.89,-4.84,;13.39,-5.24,;11.53,-7.68,;9.99,-7.69,;8.64,-6.92,;9.98,-6.14,;9.22,-9.04,;7.68,-9.04,;6.91,-10.39,;7.68,-11.72,;5.36,-10.39,;4.6,-11.72,;3.06,-11.73,;2.28,-10.39,;3.05,-9.07,;2.27,-7.74,;3.04,-6.39,;4.58,-6.39,;5.35,-7.72,;6.89,-7.71,;6.88,-6.16,;4.59,-9.06,)| Show InChI InChI=1S/C42H57N3O5.2BrH/c1-42(2,28-43-39(47)35-19-13-17-31-18-14-20-36(38(31)35)40(43)48)29-44(3,4)23-11-6-7-12-24-45(5)32-21-22-33(45)26-34(25-32)50-41(49)37(27-46)30-15-9-8-10-16-30;;/h8-10,13-20,32-34,37,46H,6-7,11-12,21-29H2,1-5H3;2*1H/q+2;;/p-2/t32-,33-,34-,37?,45?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50452855 (Isoptpo Hyoscine | Scopolamine) Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50497835 (ENDO-ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1 Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M5 receptor expressed in CHO-K1 cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50452855 (Isoptpo Hyoscine | Scopolamine) Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 W422A mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497834 (CHEMBL3323284) Show SMILES [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9| Show InChI InChI=1S/C42H55N3O6.2BrH/c1-42(2,26-43-39(47)31-19-13-17-29-18-14-20-32(36(29)31)40(43)48)27-44(3,4)21-11-6-7-12-22-45(5)34-23-30(24-35(45)38-37(34)51-38)50-41(49)33(25-46)28-15-9-8-10-16-28;;/h8-10,13-20,30,33-35,37-38,46H,6-7,11-12,21-27H2,1-5H3;2*1H/q+2;;/p-2/t30-,33-,34+,35-,37+,38-,45?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50452855 (Isoptpo Hyoscine | Scopolamine) Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50452855 (Isoptpo Hyoscine | Scopolamine) Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50030747 (CHEMBL3342183) Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C12H20N4O4/c1-12(2,3)20-11(18)14-16(9-13)8-10(17)15-4-6-19-7-5-15/h4-8H2,1-3H3,(H,14,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin B using Z-Arg-Arg-pNA chromogenic substrate fluorogenic substrate incubated for 30 mins				ACS Med Chem Lett 5: 1076-81 (2014) Article DOI: 10.1021/ml500238q BindingDB Entry DOI: 10.7270/Q20P11NT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497835 (ENDO-ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1 Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497835 (ENDO-ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1 Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50510759 (CHEMBL4459206) Show SMILES CC(C)CC(NC(=O)c1cccc(c1)-c1ccncc1)C(=O)N(C)N(C)C#N Show InChI InChI=1S/C21H25N5O2/c1-15(2)12-19(21(28)26(4)25(3)14-22)24-20(27)18-7-5-6-17(13-18)16-8-10-23-11-9-16/h5-11,13,15,19H,12H2,1-4H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Z-Phe-Arg-AMC as substrate incubated for 30 mins by fluorescence based assay				Bioorg Med Chem 27: 1-15 (2019) Article DOI: 10.1016/j.bmc.2018.10.017 BindingDB Entry DOI: 10.7270/Q21G0QK2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497835 (ENDO-ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1 Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497841 (CHEMBL3323280) Show SMILES [Br-].[Br-].[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(32.13,-8.94,;23.31,-4.96,;24.54,-13.76,;24.48,-11.89,;23.12,-12.62,;22.82,-14.11,;23.84,-13.39,;24.45,-15.15,;25.3,-13.32,;26.34,-14.07,;25.95,-12.55,;26.34,-15.59,;27.63,-16.32,;27.63,-17.81,;28.92,-15.57,;28.92,-14.07,;30.24,-13.34,;30.24,-16.32,;31.53,-15.57,;32.83,-16.32,;32.83,-17.81,;31.53,-18.56,;30.24,-17.81,;23.34,-10.74,;22.64,-9.42,;21.8,-10.74,;21.03,-9.4,;19.49,-9.4,;18.72,-8.07,;17.17,-8.07,;16.4,-6.73,;14.85,-6.72,;14.45,-5.23,;15.94,-5.63,;14.09,-8.07,;12.54,-8.07,;11.2,-7.3,;12.54,-6.53,;11.78,-9.41,;10.24,-9.42,;9.32,-8.17,;9.79,-6.7,;7.86,-8.66,;6.53,-7.9,;5.2,-8.68,;5.21,-10.22,;6.55,-10.98,;7.87,-10.2,;9.34,-10.67,;9.82,-12.13,)| Show InChI InChI=1S/C38H55N3O5.2BrH/c1-38(2,26-39-35(43)32-17-11-12-18-33(32)36(39)44)27-40(3,4)21-13-6-7-14-22-41(5)29-19-20-30(41)24-31(23-29)46-37(45)34(25-42)28-15-9-8-10-16-28;;/h8-12,15-18,29-31,34,42H,6-7,13-14,19-27H2,1-5H3;2*1H/q+2;;/p-2/t29-,30-,31-,34?,41?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497841 (CHEMBL3323280) Show SMILES [Br-].[Br-].[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(32.13,-8.94,;23.31,-4.96,;24.54,-13.76,;24.48,-11.89,;23.12,-12.62,;22.82,-14.11,;23.84,-13.39,;24.45,-15.15,;25.3,-13.32,;26.34,-14.07,;25.95,-12.55,;26.34,-15.59,;27.63,-16.32,;27.63,-17.81,;28.92,-15.57,;28.92,-14.07,;30.24,-13.34,;30.24,-16.32,;31.53,-15.57,;32.83,-16.32,;32.83,-17.81,;31.53,-18.56,;30.24,-17.81,;23.34,-10.74,;22.64,-9.42,;21.8,-10.74,;21.03,-9.4,;19.49,-9.4,;18.72,-8.07,;17.17,-8.07,;16.4,-6.73,;14.85,-6.72,;14.45,-5.23,;15.94,-5.63,;14.09,-8.07,;12.54,-8.07,;11.2,-7.3,;12.54,-6.53,;11.78,-9.41,;10.24,-9.42,;9.32,-8.17,;9.79,-6.7,;7.86,-8.66,;6.53,-7.9,;5.2,-8.68,;5.21,-10.22,;6.55,-10.98,;7.87,-10.2,;9.34,-10.67,;9.82,-12.13,)| Show InChI InChI=1S/C38H55N3O5.2BrH/c1-38(2,26-39-35(43)32-17-11-12-18-33(32)36(39)44)27-40(3,4)21-13-6-7-14-22-41(5)29-19-20-30(41)24-31(23-29)46-37(45)34(25-42)28-15-9-8-10-16-28;;/h8-12,15-18,29-31,34,42H,6-7,13-14,19-27H2,1-5H3;2*1H/q+2;;/p-2/t29-,30-,31-,34?,41?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50497834 (CHEMBL3323284) Show SMILES [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9| Show InChI InChI=1S/C42H55N3O6.2BrH/c1-42(2,26-43-39(47)31-19-13-17-29-18-14-20-32(36(29)31)40(43)48)27-44(3,4)21-11-6-7-12-22-45(5)34-23-30(24-35(45)38-37(34)51-38)50-41(49)33(25-46)28-15-9-8-10-16-28;;/h8-10,13-20,30,33-35,37-38,46H,6-7,11-12,21-27H2,1-5H3;2*1H/q+2;;/p-2/t30-,33-,34+,35-,37+,38-,45?;;/m1../s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M5 receptor expressed in CHO-K1 cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50392215 (CHEMBL2153161) Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N |r| Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 80 mins by spectrophotometric analysis				J Med Chem 55: 5982-6 (2012) Article DOI: 10.1021/jm300734k BindingDB Entry DOI: 10.7270/Q2833T40
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497834 (CHEMBL3323284) Show SMILES [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9| Show InChI InChI=1S/C42H55N3O6.2BrH/c1-42(2,26-43-39(47)31-19-13-17-29-18-14-20-32(36(29)31)40(43)48)27-44(3,4)21-11-6-7-12-22-45(5)34-23-30(24-35(45)38-37(34)51-38)50-41(49)33(25-46)28-15-9-8-10-16-28;;/h8-10,13-20,30,33-35,37-38,46H,6-7,11-12,21-27H2,1-5H3;2*1H/q+2;;/p-2/t30-,33-,34+,35-,37+,38-,45?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497834 (CHEMBL3323284) Show SMILES [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9| Show InChI InChI=1S/C42H55N3O6.2BrH/c1-42(2,26-43-39(47)31-19-13-17-29-18-14-20-32(36(29)31)40(43)48)27-44(3,4)21-11-6-7-12-22-45(5)34-23-30(24-35(45)38-37(34)51-38)50-41(49)33(25-46)28-15-9-8-10-16-28;;/h8-10,13-20,30,33-35,37-38,46H,6-7,11-12,21-27H2,1-5H3;2*1H/q+2;;/p-2/t30-,33-,34+,35-,37+,38-,45?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 W422A mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497837 (CHEMBL3323283) Show SMILES [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9| Show InChI InChI=1S/C36H49N3O6.2BrH/c1-38(2,20-13-18-37-34(41)27-16-9-10-17-28(27)35(37)42)19-11-4-5-12-21-39(3)30-22-26(23-31(39)33-32(30)45-33)44-36(43)29(24-40)25-14-7-6-8-15-25;;/h6-10,14-17,26,29-33,40H,4-5,11-13,18-24H2,1-3H3;2*1H/q+2;;/p-2/t26-,29-,30+,31-,32+,33-,39?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 W422A mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497837 (CHEMBL3323283) Show SMILES [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9| Show InChI InChI=1S/C36H49N3O6.2BrH/c1-38(2,20-13-18-37-34(41)27-16-9-10-17-28(27)35(37)42)19-11-4-5-12-21-39(3)30-22-26(23-31(39)33-32(30)45-33)44-36(43)29(24-40)25-14-7-6-8-15-25;;/h6-10,14-17,26,29-33,40H,4-5,11-13,18-24H2,1-3H3;2*1H/q+2;;/p-2/t26-,29-,30+,31-,32+,33-,39?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497837 (CHEMBL3323283) Show SMILES [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9| Show InChI InChI=1S/C36H49N3O6.2BrH/c1-38(2,20-13-18-37-34(41)27-16-9-10-17-28(27)35(37)42)19-11-4-5-12-21-39(3)30-22-26(23-31(39)33-32(30)45-33)44-36(43)29(24-40)25-14-7-6-8-15-25;;/h6-10,14-17,26,29-33,40H,4-5,11-13,18-24H2,1-3H3;2*1H/q+2;;/p-2/t26-,29-,30+,31-,32+,33-,39?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497837 (CHEMBL3323283) Show SMILES [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9| Show InChI InChI=1S/C36H49N3O6.2BrH/c1-38(2,20-13-18-37-34(41)27-16-9-10-17-28(27)35(37)42)19-11-4-5-12-21-39(3)30-22-26(23-31(39)33-32(30)45-33)44-36(43)29(24-40)25-14-7-6-8-15-25;;/h6-10,14-17,26,29-33,40H,4-5,11-13,18-24H2,1-3H3;2*1H/q+2;;/p-2/t26-,29-,30+,31-,32+,33-,39?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497842 (CHEMBL3323281) Show SMILES [Br-].[Br-].[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23 |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(21.93,-8.07,;23.41,-4.94,;22,-13.38,;21.94,-11.51,;20.57,-12.24,;20.27,-13.74,;21.3,-13.01,;21.9,-14.78,;22.76,-12.95,;23.79,-13.7,;23.41,-12.18,;23.79,-15.22,;25.09,-15.95,;25.09,-17.44,;26.38,-15.2,;26.38,-13.7,;27.7,-12.97,;27.7,-15.95,;29,-15.2,;30.29,-15.95,;30.29,-17.44,;29,-18.19,;27.7,-17.44,;20.8,-10.36,;20.1,-9.04,;19.25,-10.36,;18.48,-9.02,;16.94,-9.02,;16.16,-7.68,;14.62,-7.68,;13.85,-6.35,;12.29,-6.34,;11.89,-4.84,;13.39,-5.24,;11.53,-7.68,;9.99,-7.69,;8.64,-6.92,;9.98,-6.14,;9.22,-9.04,;7.68,-9.04,;6.91,-10.39,;7.68,-11.72,;5.36,-10.39,;4.6,-11.72,;3.06,-11.73,;2.28,-10.39,;3.05,-9.07,;2.27,-7.74,;3.04,-6.39,;4.58,-6.39,;5.35,-7.72,;6.89,-7.71,;6.88,-6.16,;4.59,-9.06,)| Show InChI InChI=1S/C42H57N3O5.2BrH/c1-42(2,28-43-39(47)35-19-13-17-31-18-14-20-36(38(31)35)40(43)48)29-44(3,4)23-11-6-7-12-24-45(5)32-21-22-33(45)26-34(25-32)50-41(49)37(27-46)30-15-9-8-10-16-30;;/h8-10,13-20,32-34,37,46H,6-7,11-12,21-29H2,1-5H3;2*1H/q+2;;/p-2/t32-,33-,34-,37?,45?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 |t:9| Show InChI InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497834 (CHEMBL3323284) Show SMILES [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9| Show InChI InChI=1S/C42H55N3O6.2BrH/c1-42(2,26-43-39(47)31-19-13-17-29-18-14-20-32(36(29)31)40(43)48)27-44(3,4)21-11-6-7-12-22-45(5)34-23-30(24-35(45)38-37(34)51-38)50-41(49)33(25-46)28-15-9-8-10-16-28;;/h8-10,13-20,30,33-35,37-38,46H,6-7,11-12,21-27H2,1-5H3;2*1H/q+2;;/p-2/t30-,33-,34+,35-,37+,38-,45?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair

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