Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50001127   

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
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50013025 (2,6-Dimethyl-4-(5-methyl-3-phenyl-isoxazol-4-yl)-1...) Show SMILES CCOC(=O)C1C(c2c(C)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:29,t:26| Show InChI InChI=1S/C23H26N2O5/c1-6-28-22(26)17-13(3)24-14(4)18(23(27)29-7-2)20(17)19-15(5)30-25-21(19)16-11-9-8-10-12-16/h8-12,17,20H,6-7H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane				J Med Chem 33: 2255-9 (1990) BindingDB Entry DOI: 10.7270/Q2KS6QHH
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Homo sapiens (Human))	BDBM50013025 (2,6-Dimethyl-4-(5-methyl-3-phenyl-isoxazol-4-yl)-1...) Show SMILES CCOC(=O)C1C(c2c(C)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:29,t:26| Show InChI InChI=1S/C23H26N2O5/c1-6-28-22(26)17-13(3)24-14(4)18(23(27)29-7-2)20(17)19-15(5)30-25-21(19)16-11-9-8-10-12-16/h8-12,17,20H,6-7H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane.				J Med Chem 33: 2255-9 (1990) BindingDB Entry DOI: 10.7270/Q2KS6QHH
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50013022 (4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...) Show SMILES CCOC(=O)C1C(c2c(C)noc2C)C(C(=O)OCC)=C(C)N=C1C |c:23,t:20| Show InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h14,16H,7-8H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane				J Med Chem 33: 2255-9 (1990) BindingDB Entry DOI: 10.7270/Q2KS6QHH
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50013022 (4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...) Show SMILES CCOC(=O)C1C(c2c(C)noc2C)C(C(=O)OCC)=C(C)N=C1C |c:23,t:20| Show InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h14,16H,7-8H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane.				J Med Chem 33: 2255-9 (1990) BindingDB Entry DOI: 10.7270/Q2KS6QHH
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Homo sapiens (Human))	BDBM50013022 (4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...) Show SMILES CCOC(=O)C1C(c2c(C)noc2C)C(C(=O)OCC)=C(C)N=C1C |c:23,t:20| Show InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h14,16H,7-8H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane.				J Med Chem 33: 2255-9 (1990) BindingDB Entry DOI: 10.7270/Q2KS6QHH
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Homo sapiens (Human))	BDBM50013022 (4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...) Show SMILES CCOC(=O)C1C(c2c(C)noc2C)C(C(=O)OCC)=C(C)N=C1C |c:23,t:20| Show InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h14,16H,7-8H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane				J Med Chem 33: 2255-9 (1990) BindingDB Entry DOI: 10.7270/Q2KS6QHH
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50013021 (4-(5-Ethyl-3-methyl-isoxazol-4-yl)-2,6-dimethyl-1,...) Show SMILES CCOC(=O)C1C(c2c(C)noc2CC)C(C(=O)OCC)=C(C)N=C1C |c:24,t:21| Show InChI InChI=1S/C19H26N2O5/c1-7-13-14(12(6)21-26-13)17-15(18(22)24-8-2)10(4)20-11(5)16(17)19(23)25-9-3/h15,17H,7-9H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane				J Med Chem 33: 2255-9 (1990) BindingDB Entry DOI: 10.7270/Q2KS6QHH
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Homo sapiens (Human))	BDBM50013021 (4-(5-Ethyl-3-methyl-isoxazol-4-yl)-2,6-dimethyl-1,...) Show SMILES CCOC(=O)C1C(c2c(C)noc2CC)C(C(=O)OCC)=C(C)N=C1C |c:24,t:21| Show InChI InChI=1S/C19H26N2O5/c1-7-13-14(12(6)21-26-13)17-15(18(22)24-8-2)10(4)20-11(5)16(17)19(23)25-9-3/h15,17H,7-9H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane				J Med Chem 33: 2255-9 (1990) BindingDB Entry DOI: 10.7270/Q2KS6QHH
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Homo sapiens (Human))	BDBM50013026 (2,6-Dimethyl-4-(5-pentyl-3-phenyl-isoxazol-4-yl)-1...) Show SMILES CCCCCc1onc(c1C1C(C(=O)OCC)C(C)=NC(C)=C1C(=O)OCC)-c1ccccc1 |c:19,22| Show InChI InChI=1S/C27H34N2O5/c1-6-9-11-16-20-23(25(29-34-20)19-14-12-10-13-15-19)24-21(26(30)32-7-2)17(4)28-18(5)22(24)27(31)33-8-3/h10,12-15,21,24H,6-9,11,16H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane				J Med Chem 33: 2255-9 (1990) BindingDB Entry DOI: 10.7270/Q2KS6QHH
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50013026 (2,6-Dimethyl-4-(5-pentyl-3-phenyl-isoxazol-4-yl)-1...) Show SMILES CCCCCc1onc(c1C1C(C(=O)OCC)C(C)=NC(C)=C1C(=O)OCC)-c1ccccc1 |c:19,22| Show InChI InChI=1S/C27H34N2O5/c1-6-9-11-16-20-23(25(29-34-20)19-14-12-10-13-15-19)24-21(26(30)32-7-2)17(4)28-18(5)22(24)27(31)33-8-3/h10,12-15,21,24H,6-9,11,16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane				J Med Chem 33: 2255-9 (1990) BindingDB Entry DOI: 10.7270/Q2KS6QHH
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50013024 (4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...) Show SMILES COC(=O)C1C(c2c(C)noc2C)C(C(=O)OC)=C(C)N=C1C |c:21,t:18| Show InChI InChI=1S/C16H20N2O5/c1-7-12(15(19)21-5)14(11-9(3)18-23-10(11)4)13(8(2)17-7)16(20)22-6/h12,14H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane				J Med Chem 33: 2255-9 (1990) BindingDB Entry DOI: 10.7270/Q2KS6QHH
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Homo sapiens (Human))	BDBM50013024 (4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...) Show SMILES COC(=O)C1C(c2c(C)noc2C)C(C(=O)OC)=C(C)N=C1C |c:21,t:18| Show InChI InChI=1S/C16H20N2O5/c1-7-12(15(19)21-5)14(11-9(3)18-23-10(11)4)13(8(2)17-7)16(20)22-6/h12,14H,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane				J Med Chem 33: 2255-9 (1990) BindingDB Entry DOI: 10.7270/Q2KS6QHH
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Homo sapiens (Human))	BDBM50013023 (4-(5-Isopropyl-3-phenyl-isoxazol-4-yl)-2,6-dimethy...) Show SMILES CCOC(=O)C1C(c2c(onc2-c2ccccc2)C(C)C)C(C(=O)OCC)=C(C)N=C1C |c:31,t:28| Show InChI InChI=1S/C25H30N2O5/c1-7-30-24(28)18-15(5)26-16(6)19(25(29)31-8-2)20(18)21-22(17-12-10-9-11-13-17)27-32-23(21)14(3)4/h9-14,18,20H,7-8H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	254	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane				J Med Chem 33: 2255-9 (1990) BindingDB Entry DOI: 10.7270/Q2KS6QHH
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50013023 (4-(5-Isopropyl-3-phenyl-isoxazol-4-yl)-2,6-dimethy...) Show SMILES CCOC(=O)C1C(c2c(onc2-c2ccccc2)C(C)C)C(C(=O)OCC)=C(C)N=C1C |c:31,t:28| Show InChI InChI=1S/C25H30N2O5/c1-7-30-24(28)18-15(5)26-16(6)19(25(29)31-8-2)20(18)21-22(17-12-10-9-11-13-17)27-32-23(21)14(3)4/h9-14,18,20H,7-8H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane				J Med Chem 33: 2255-9 (1990) BindingDB Entry DOI: 10.7270/Q2KS6QHH
					More data for this Ligand-Target Pair