Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50005357   

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
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50035989 (1-Methyl-4-(4-propylsulfanyl-[1,2,5]thiadiazol-3-y...) Show SMILES CCCSc1nsnc1C1=CCN(C)CC1 |t:10| Show InChI InChI=1S/C11H17N3S2/c1-3-8-15-11-10(12-16-13-11)9-4-6-14(2)7-5-9/h4H,3,5-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat he...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50407329 (CHEMBL2112938) Show SMILES CN1CCC=C(C1)c1nsnc1SCCF |c:4| Show InChI InChI=1S/C10H14FN3S2/c1-14-5-2-3-8(7-14)9-10(13-16-12-9)15-6-4-11/h3H,2,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat he...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50407330 (CHEMBL2112939) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCF |c:4| Show InChI InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat he...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM50407331 (CHEMBL2112940) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCF |c:4| Show InChI InChI=1S/C13H20FN3S2/c1-17-8-5-6-11(10-17)12-13(16-19-15-12)18-9-4-2-3-7-14/h6H,2-5,7-10H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M1 was determined by measuring its ability to displace [3H]-Pirenzepine from bovi...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50035991 (1-Methyl-4-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...) Show SMILES CCCCCSc1nsnc1C1=CCN(C)CC1 |t:12| Show InChI InChI=1S/C13H21N3S2/c1-3-4-5-10-17-13-12(14-18-15-13)11-6-8-16(2)9-7-11/h6H,3-5,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat he...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50407331 (CHEMBL2112940) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCF |c:4| Show InChI InChI=1S/C13H20FN3S2/c1-17-8-5-6-11(10-17)12-13(16-19-15-12)18-9-4-2-3-7-14/h6H,2-5,7-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat he...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM50407330 (CHEMBL2112939) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCF |c:4| Show InChI InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M1 was determined by measuring its ability to displace [3H]-Pirenzepine from bovi...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50035989 (1-Methyl-4-(4-propylsulfanyl-[1,2,5]thiadiazol-3-y...) Show SMILES CCCSc1nsnc1C1=CCN(C)CC1 |t:10| Show InChI InChI=1S/C11H17N3S2/c1-3-8-15-11-10(12-16-13-11)9-4-6-14(2)7-5-9/h4H,3,5-8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Sigma receptor type 1 was determined by measuring its ability to displace [3H]-(+)-pentazocine from guinea pig brai...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50407329 (CHEMBL2112938) Show SMILES CN1CCC=C(C1)c1nsnc1SCCF |c:4| Show InChI InChI=1S/C10H14FN3S2/c1-14-5-2-3-8(7-14)9-10(13-16-12-9)15-6-4-11/h3H,2,4-7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Sigma receptor type 1 was determined by measuring its ability to displace [3H]-(+)-pentazocine from guinea pig brai...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM50035989 (1-Methyl-4-(4-propylsulfanyl-[1,2,5]thiadiazol-3-y...) Show SMILES CCCSc1nsnc1C1=CCN(C)CC1 |t:10| Show InChI InChI=1S/C11H17N3S2/c1-3-8-15-11-10(12-16-13-11)9-4-6-14(2)7-5-9/h4H,3,5-8H2,1-2H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M1 was determined by measuring its ability to displace [3H]-Pirenzepine from bovi...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM50407329 (CHEMBL2112938) Show SMILES CN1CCC=C(C1)c1nsnc1SCCF |c:4| Show InChI InChI=1S/C10H14FN3S2/c1-14-5-2-3-8(7-14)9-10(13-16-12-9)15-6-4-11/h3H,2,4-7H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M1 was determined by measuring its ability to displace [3H]-Pirenzepine from bovi...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM50035991 (1-Methyl-4-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...) Show SMILES CCCCCSc1nsnc1C1=CCN(C)CC1 |t:12| Show InChI InChI=1S/C13H21N3S2/c1-3-4-5-10-17-13-12(14-18-15-13)11-6-8-16(2)9-7-11/h6H,3-5,7-10H2,1-2H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M1 was determined by measuring its ability to displace [3H]-Pirenzepine from bovi...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50407330 (CHEMBL2112939) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCF |c:4| Show InChI InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	62.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Sigma receptor type 1 was determined by measuring its ability to displace [3H]-(+)-pentazocine from guinea pig brai...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Cavia porcellus)	BDBM50407330 (CHEMBL2112939) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCF |c:4| Show InChI InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M3 was determined by measuring its ability to displace [3H]-N-methyl- scopolamine...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Cavia porcellus)	BDBM50407331 (CHEMBL2112940) Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCF |c:4| Show InChI InChI=1S/C13H20FN3S2/c1-17-8-5-6-11(10-17)12-13(16-19-15-12)18-9-4-2-3-7-14/h6H,2-5,7-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M3 was determined by measuring its ability to displace [3H]-N-methyl- scopolamine...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Cavia porcellus)	BDBM50035989 (1-Methyl-4-(4-propylsulfanyl-[1,2,5]thiadiazol-3-y...) Show SMILES CCCSc1nsnc1C1=CCN(C)CC1 |t:10| Show InChI InChI=1S/C11H17N3S2/c1-3-8-15-11-10(12-16-13-11)9-4-6-14(2)7-5-9/h4H,3,5-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M3 was determined by measuring its ability to displace [3H]-N-methyl- scopolamine...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50035989 (1-Methyl-4-(4-propylsulfanyl-[1,2,5]thiadiazol-3-y...) Show SMILES CCCSc1nsnc1C1=CCN(C)CC1 |t:10| Show InChI InChI=1S/C11H17N3S2/c1-3-8-15-11-10(12-16-13-11)9-4-6-14(2)7-5-9/h4H,3,5-8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Sigma receptor type 2 was determined by measuring its ability to displace [3H]-1,3-di-o-tolylguanidine from rat liv...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Cavia porcellus)	BDBM50035991 (1-Methyl-4-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...) Show SMILES CCCCCSc1nsnc1C1=CCN(C)CC1 |t:12| Show InChI InChI=1S/C13H21N3S2/c1-3-4-5-10-17-13-12(14-18-15-13)11-6-8-16(2)9-7-11/h6H,3-5,7-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M3 was determined by measuring its ability to displace [3H]-N-methyl- scopolamine...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Cavia porcellus)	BDBM50407329 (CHEMBL2112938) Show SMILES CN1CCC=C(C1)c1nsnc1SCCF |c:4| Show InChI InChI=1S/C10H14FN3S2/c1-14-5-2-3-8(7-14)9-10(13-16-12-9)15-6-4-11/h3H,2,4-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description In vitro binding affinity towards Muscarinic acetylcholine receptor M3 was determined by measuring its ability to displace [3H]-N-methyl- scopolamine...				J Med Chem 38: 5-8 (1995) BindingDB Entry DOI: 10.7270/Q2BC3XMW
					More data for this Ligand-Target Pair