Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50035666   

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))	BDBM50318494 (3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...) Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8| Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles				J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50016400 (2,6-Dimethyl-4-(2-methylsulfanyl-3-nitro-phenyl)-1...) Show SMILES CCOC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(c1SC)[N+]([O-])=O)C(=[OH+])OCC |c:5,10| Show InChI InChI=1S/C20H24N2O6S/c1-6-27-19(23)15-11(3)21-12(4)16(20(24)28-7-2)17(15)13-9-8-10-14(22(25)26)18(13)29-5/h8-10,17H,6-7H2,1-5H3,(H,21,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles				J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50336640 ((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...) Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10| Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles				J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50452435 (CHEMBL2110302) Show SMILES [H][C@@]12[C@@H](C(=O)OCC)[C@@](C)(Sc3ccc(cc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:12:11:2:23.21.20,15:16:2:23.21.20,24:23:2:16.10.11| Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-9-11(21(24)25)7-8-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16+,19-/m1/s1	PDB UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles				J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50016398 (2,6-Dimethyl-4-(2-methylsulfanyl-5-nitro-phenyl)-1...) Show SMILES CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cc(ccc1SC)[N+]([O-])=O |w:3.3,c:15,t:12| Show InChI InChI=1S/C20H24N2O6S/c1-6-27-19(23)16-11(3)21-12(4)17(20(24)28-7-2)18(16)14-10-13(22(25)26)8-9-15(14)29-5/h8-10,18,23H,6-7H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles				J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50452433 (CHEMBL2110168) Show SMILES [H][C@@]12[C@H](C(=O)OCC)[C@@](C)(Sc3c(cccc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:15:16:2:23.21.20,12:11:2:23.21.20,24:23:2:11.10.16| Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)13-10(3)20-19(4)15(18(23)27-6-2)14(13)11-8-7-9-12(21(24)25)16(11)28-19/h7-9,14-15,22H,5-6H2,1-4H3/b17-13+/t14-,15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles				J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50452434 (CHEMBL2110303) Show SMILES [H][C@@]12[C@@H](C(=O)OCC)[C@@](C)(Sc3ccccc13)N=C(C)\C2=C(\O)OCC |t:19,THB:15:16:2:20.18.17,12:11:2:20.18.17,21:20:2:10.16.11| Show InChI InChI=1S/C19H23NO4S/c1-5-23-17(21)14-11(3)20-19(4)16(18(22)24-6-2)15(14)12-9-7-8-10-13(12)25-19/h7-10,15-16,21H,5-6H2,1-4H3/b17-14+/t15-,16+,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles				J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50452432 (CHEMBL2110169) Show SMILES [H][C@@]12[C@H](C(=O)OCC)[C@@](C)(Sc3ccc(cc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:12:11:2:23.21.20,15:16:2:23.21.20,24:23:2:16.10.11| Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-9-11(21(24)25)7-8-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles				J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50452430 (CHEMBL2110298) Show SMILES [H][C@@]12[C@@H](C(=O)OCC)[C@@](C)(Sc3cc(ccc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:24:23:2:10.11.16,12:11:2:23.21.20,15:16:2:23.21.20| Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-8-7-11(21(24)25)9-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16+,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles				J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50452429 (CHEMBL2110170) Show SMILES [H][C@@]12[C@H](C(=O)OCC)[C@@](C)(Sc3ccccc13)N=C(C)\C2=C(\O)OCC |t:19,THB:15:16:2:20.18.17,12:11:2:20.18.17,21:20:2:10.16.11| Show InChI InChI=1S/C19H23NO4S/c1-5-23-17(21)14-11(3)20-19(4)16(18(22)24-6-2)15(14)12-9-7-8-10-13(12)25-19/h7-10,15-16,21H,5-6H2,1-4H3/b17-14+/t15-,16-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles				J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50452431 (CHEMBL2110167) Show SMILES [H][C@@]12[C@H](C(=O)OCC)[C@@](C)(Sc3cc(ccc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:24:23:2:10.11.16,12:11:2:23.21.20,15:16:2:23.21.20| Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-8-7-11(21(24)25)9-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles				J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50452436 (CHEMBL2110301) Show SMILES [H][C@@]12[C@@H](C(=O)OCC)[C@@](C)(Sc3c(cccc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:15:16:2:23.21.20,12:11:2:23.21.20,24:23:2:11.10.16| Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)13-10(3)20-19(4)15(18(23)27-6-2)14(13)11-8-7-9-12(21(24)25)16(11)28-19/h7-9,14-15,22H,5-6H2,1-4H3/b17-13+/t14-,15+,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles				J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T
					More data for this Ligand-Target Pair