Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50036185   

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 (RAT)	BDBM50231571 (CHEMBL3350845) Show SMILES CCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:7,12| Show InChI InChI=1S/C21H24F3NO4/c1-5-6-11-29-20(27)17-13(3)25-12(2)16(19(26)28-4)18(17)14-9-7-8-10-15(14)21(22,23)24/h7-10,18,25H,5-6,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
State University of New York Curated by ChEMBL					Assay Description Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes				J Med Chem 36: 3743-5 (1994) BindingDB Entry DOI: 10.7270/Q2C24X29
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM50231574 (CHEMBL3350842) Show SMILES CCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:11,16| Show InChI InChI=1S/C25H32F3NO4/c1-5-6-7-8-9-12-15-33-24(31)21-17(3)29-16(2)20(23(30)32-4)22(21)18-13-10-11-14-19(18)25(26,27)28/h10-11,13-14,22,29H,5-9,12,15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	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](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes				J Med Chem 36: 3743-5 (1994) BindingDB Entry DOI: 10.7270/Q2C24X29
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM50231573 (CHEMBL3350846) Show SMILES CCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:13,18| Show InChI InChI=1S/C27H36F3NO4/c1-5-6-7-8-9-10-11-14-17-35-26(33)23-19(3)31-18(2)22(25(32)34-4)24(23)20-15-12-13-16-21(20)27(28,29)30/h12-13,15-16,24,31H,5-11,14,17H2,1-4H3	PDB UniProtKB/SwissProt 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](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes				J Med Chem 36: 3743-5 (1994) BindingDB Entry DOI: 10.7270/Q2C24X29
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM50231570 (CHEMBL3350843) Show SMILES CCCCCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:17,22| Show InChI InChI=1S/C31H44F3NO4/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-39-30(37)27-23(3)35-22(2)26(29(36)38-4)28(27)24-19-16-17-20-25(24)31(32,33)34/h16-17,19-20,28,35H,5-15,18,21H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes				J Med Chem 36: 3743-5 (1994) BindingDB Entry DOI: 10.7270/Q2C24X29
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM50231572 (CHEMBL3350844) Show SMILES CCCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:15,20| Show InChI InChI=1S/C29H40F3NO4/c1-5-6-7-8-9-10-11-12-13-16-19-37-28(35)25-21(3)33-20(2)24(27(34)36-4)26(25)22-17-14-15-18-23(22)29(30,31)32/h14-15,17-18,26,33H,5-13,16,19H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	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](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes				J Med Chem 36: 3743-5 (1994) BindingDB Entry DOI: 10.7270/Q2C24X29
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM50231575 (CHEMBL3350841) Show SMILES CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:21,26| Show InChI InChI=1S/C35H52F3NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-43-34(41)31-27(3)39-26(2)30(33(40)42-4)32(31)28-23-20-21-24-29(28)35(36,37)38/h20-21,23-24,32,39H,5-19,22,25H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	87	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](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes				J Med Chem 36: 3743-5 (1994) BindingDB Entry DOI: 10.7270/Q2C24X29
					More data for this Ligand-Target Pair