Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50044046   

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
NADH-ubiquinone oxidoreductase chain 1 (Bos taurus (Bovine))	BDBM50366820 (BULLATACIN) Show SMILES CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H](O1)[C@@H]1CC[C@H](O1)[C@H](O)CCCCCCCCCC(O)CC1=CC(C)OC1=O |r,t:38| Show InChI InChI=1S/C36H64O7/c1-3-4-5-6-7-10-13-16-19-30(38)32-21-23-34(42-32)35-24-22-33(43-35)31(39)20-17-14-11-8-9-12-15-18-29(37)26-28-25-27(2)41-36(28)40/h25,27,29-35,37-39H,3-24,26H2,1-2H3/t27?,29?,30-,31-,32+,33+,34+,35+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay				Citation and Details Article DOI: 10.1016/j.tet.2004.09.011 BindingDB Entry DOI: 10.7270/Q2HD7X5G
					More data for this Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1 (Bos taurus (Bovine))	BDBM50004703 (Corossoline) Show SMILES [H][C@@]1(CC[C@@]([H])(O1)[C@H](O)CCCC[C@H](O)CCCCCCCC1=C[C@H](C)OC1=O)[C@H](O)CCCCCCCCCCCC |r,t:23| Show InChI InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30+,31+,32+,33+,34+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay				Citation and Details Article DOI: 10.1016/j.tet.2004.09.011 BindingDB Entry DOI: 10.7270/Q2HD7X5G
					More data for this Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1 (Bos taurus (Bovine))	BDBM50004702 ((10S)-COROSSOLINE) Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@@H](O)CCCCCCCC1=C[C@H](C)OC1=O |r,t:35| Show InChI InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30-,31+,32+,33+,34+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay				Citation and Details Article DOI: 10.1016/j.tet.2004.09.011 BindingDB Entry DOI: 10.7270/Q2HD7X5G
					More data for this Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1 (Bos taurus (Bovine))	BDBM50004705 (CIS-SOLAMIN) Show SMILES [H][C@]1(CC[C@@]([H])(O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O)[C@@H](O)CCCCCCCCCCCC |t:22| Show InChI InChI=1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3/t29-,31-,32+,33-,34+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay				Citation and Details Article DOI: 10.1016/j.tet.2004.09.011 BindingDB Entry DOI: 10.7270/Q2HD7X5G
					More data for this Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1 (Bos taurus (Bovine))	BDBM50004705 (CIS-SOLAMIN) Show SMILES [H][C@]1(CC[C@@]([H])(O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O)[C@@H](O)CCCCCCCCCCCC |t:22| Show InChI InChI=1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3/t29-,31-,32+,33-,34+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay				Citation and Details Article DOI: 10.1016/j.tet.2004.09.011 BindingDB Entry DOI: 10.7270/Q2HD7X5G
					More data for this Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1 (Bos taurus (Bovine))	BDBM50004701 ((17R,18R,21R,22S)-reticulation-1) Show SMILES CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCCCC1=C[C@H](C)OC1=O |r,t:36| Show InChI InChI=1S/C37H68O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3/t31-,33-,34+,35+,36+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay				Citation and Details Article DOI: 10.1016/j.tet.2004.09.011 BindingDB Entry DOI: 10.7270/Q2HD7X5G
					More data for this Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1 (Bos taurus (Bovine))	BDBM50004700 ((17S, 18S, 21S, 22R)-reticulation-1) Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@@H](O)CCCCCCCCCCCCCCC1=C[C@H](C)OC1=O |r,t:36| Show InChI InChI=1S/C37H68O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3/t31-,33+,34-,35+,36+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay				Citation and Details Article DOI: 10.1016/j.tet.2004.09.011 BindingDB Entry DOI: 10.7270/Q2HD7X5G
					More data for this Ligand-Target Pair