Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50042585   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50428141 (CHEMBL2336055) Show SMILES CCOC(=O)N1CCC(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r| Show InChI InChI=1S/C21H29N3O3/c1-2-27-21(26)23-11-7-16(8-12-23)14-22-10-9-18(15-22)24-19-6-4-3-5-17(19)13-20(24)25/h3-6,16,18H,2,7-15H2,1H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG assessed as decrease in tail current amplitude measured after 5 mins by whole cell patch clamp technique				ACS Med Chem Lett 4: 244-8 (2013) Article DOI: 10.1021/ml300372f BindingDB Entry DOI: 10.7270/Q20Z74N3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50428138 (CHEMBL2336059) Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](C1)N1C(=O)Cc3ccccc13)C2 |r,THB:3:5:11.28.10:7.8| Show InChI InChI=1S/C23H31N3O3/c1-2-29-23(28)25-18-7-8-19(25)12-16(11-18)14-24-10-9-20(15-24)26-21-6-4-3-5-17(21)13-22(26)27/h3-6,16,18-20H,2,7-15H2,1H3/t16-,18-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG assessed as decrease in tail current amplitude measured after 5 mins by whole cell patch clamp technique				ACS Med Chem Lett 4: 244-8 (2013) Article DOI: 10.1021/ml300372f BindingDB Entry DOI: 10.7270/Q20Z74N3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50428140 (CHEMBL2336056) Show SMILES CCOC(=O)N1CCC(C)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r| Show InChI InChI=1S/C22H31N3O3/c1-3-28-21(27)24-12-9-22(2,10-13-24)16-23-11-8-18(15-23)25-19-7-5-4-6-17(19)14-20(25)26/h4-7,18H,3,8-16H2,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG assessed as decrease in tail current amplitude measured after 5 mins by whole cell patch clamp technique				ACS Med Chem Lett 4: 244-8 (2013) Article DOI: 10.1021/ml300372f BindingDB Entry DOI: 10.7270/Q20Z74N3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50428139 (CHEMBL2336057) Show SMILES CCOC(=O)N1CCC(O)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r| Show InChI InChI=1S/C21H29N3O4/c1-2-28-20(26)23-11-8-21(27,9-12-23)15-22-10-7-17(14-22)24-18-6-4-3-5-16(18)13-19(24)25/h3-6,17,27H,2,7-15H2,1H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG assessed as decrease in tail current amplitude measured after 5 mins by whole cell patch clamp technique				ACS Med Chem Lett 4: 244-8 (2013) Article DOI: 10.1021/ml300372f BindingDB Entry DOI: 10.7270/Q20Z74N3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50428139 (CHEMBL2336057) Show SMILES CCOC(=O)N1CCC(O)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r| Show InChI InChI=1S/C21H29N3O4/c1-2-28-20(26)23-11-8-21(27,9-12-23)15-22-10-7-17(14-22)24-18-6-4-3-5-16(18)13-19(24)25/h3-6,17,27H,2,7-15H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human M4 receptor co-expressed with Galpha16 in CHO cells assessed as calcium mobilization after 60 mins by FLIPR assay				ACS Med Chem Lett 4: 244-8 (2013) Article DOI: 10.1021/ml300372f BindingDB Entry DOI: 10.7270/Q20Z74N3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50428138 (CHEMBL2336059) Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](C1)N1C(=O)Cc3ccccc13)C2 |r,THB:3:5:11.28.10:7.8| Show InChI InChI=1S/C23H31N3O3/c1-2-29-23(28)25-18-7-8-19(25)12-16(11-18)14-24-10-9-20(15-24)26-21-6-4-3-5-17(21)13-22(26)27/h3-6,16,18-20H,2,7-15H2,1H3/t16-,18-,19+,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human M4 receptor co-expressed with Galpha16 in CHO cells assessed as calcium mobilization after 60 mins by FLIPR assay				ACS Med Chem Lett 4: 244-8 (2013) Article DOI: 10.1021/ml300372f BindingDB Entry DOI: 10.7270/Q20Z74N3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50061705 ((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...) Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)| Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.70	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human M4 receptor co-expressed with Galpha16 in CHO cells assessed as calcium mobilization after 60 mins by FLIPR assay				ACS Med Chem Lett 4: 244-8 (2013) Article DOI: 10.1021/ml300372f BindingDB Entry DOI: 10.7270/Q20Z74N3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50428140 (CHEMBL2336056) Show SMILES CCOC(=O)N1CCC(C)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r| Show InChI InChI=1S/C22H31N3O3/c1-3-28-21(27)24-12-9-22(2,10-13-24)16-23-11-8-18(15-23)25-19-7-5-4-6-17(19)14-20(25)26/h4-7,18H,3,8-16H2,1-2H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human M4 receptor co-expressed with Galpha16 in CHO cells assessed as calcium mobilization after 60 mins by FLIPR assay				ACS Med Chem Lett 4: 244-8 (2013) Article DOI: 10.1021/ml300372f BindingDB Entry DOI: 10.7270/Q20Z74N3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50428138 (CHEMBL2336059) Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](C1)N1C(=O)Cc3ccccc13)C2 |r,THB:3:5:11.28.10:7.8| Show InChI InChI=1S/C23H31N3O3/c1-2-29-23(28)25-18-7-8-19(25)12-16(11-18)14-24-10-9-20(15-24)26-21-6-4-3-5-17(21)13-22(26)27/h3-6,16,18-20H,2,7-15H2,1H3/t16-,18-,19+,20-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human M1 receptor in CHO cells assessed as calcium mobilization after 60 mins by FLIPR assay				ACS Med Chem Lett 4: 244-8 (2013) Article DOI: 10.1021/ml300372f BindingDB Entry DOI: 10.7270/Q20Z74N3
					More data for this Ligand-Target Pair