Marvin 2D Structure

Wt: 342.5 BDBM50130143	Wt: 319.4 BDBM50411903	Wt: 303.4 BDBM50411904Purchase	Wt: 318.4 BDBM50411906	Wt: 317.4 BDBM50411907
Wt: 292.4 BDBM50411908	Wt: 291.4 BDBM50411909	Wt: 317.4 BDBM50411910	Wt: 307.4 BDBM50411911	Wt: 305.4 BDBM50411912
Wt: 289.4 BDBM50411913	Wt: 319.4 BDBM50411914	Wt: 304.4 BDBM50411915	Wt: 333.4 BDBM50411917	Wt: 319.4 BDBM50411918

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display   

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
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411907 (IROMYCIN S) Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)(C)C)[nH]c(=O)c(C)c1O Show InChI InChI=1S/C20H31NO2/c1-7-9-16-17(21-19(23)15(3)18(16)22)12-11-14(2)10-8-13-20(4,5)6/h8,11,13H,7,9-10,12H2,1-6H3,(H2,21,22,23)/b13-8+,14-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411904 (IROMYCIN A) Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)C)[nH]c(=O)c(C)c1O Show InChI InChI=1S/C19H29NO2/c1-6-8-16-17(20-19(22)15(5)18(16)21)12-11-14(4)10-7-9-13(2)3/h7,9,11,13H,6,8,10,12H2,1-5H3,(H2,20,21,22)/b9-7+,14-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	461	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411909 (IROMYCIN M) Show SMILES CCCCC\C(C)=C\Cc1[nH]c(=O)c(C)c(O)c1CCC Show InChI InChI=1S/C18H29NO2/c1-5-7-8-10-13(3)11-12-16-15(9-6-2)17(20)14(4)18(21)19-16/h11H,5-10,12H2,1-4H3,(H2,19,20,21)/b13-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411911 (CHEMBL270644) Show SMILES CCCc1c(O)c(C)c(=O)[nH]c1CCC(C)CCCC(C)C Show InChI InChI=1S/C19H33NO2/c1-6-8-16-17(20-19(22)15(5)18(16)21)12-11-14(4)10-7-9-13(2)3/h13-14H,6-12H2,1-5H3,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411910 (CHEMBL270201) Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)C)[nH]c(=O)c(C)c1OC Show InChI InChI=1S/C20H31NO2/c1-7-9-17-18(21-20(22)16(5)19(17)23-6)13-12-15(4)11-8-10-14(2)3/h8,10,12,14H,7,9,11,13H2,1-6H3,(H,21,22)/b10-8+,15-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411913 (IROMYCIN C) Show SMILES CCCc1c(C\C=C(/C)C\C=C\CC)[nH]c(=O)c(C)c1O Show InChI InChI=1S/C18H27NO2/c1-5-7-8-10-13(3)11-12-16-15(9-6-2)17(20)14(4)18(21)19-16/h7-8,11H,5-6,9-10,12H2,1-4H3,(H2,19,20,21)/b8-7+,13-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50130143 ((R)-1-[(2R,5R,2'R,5'R)-5'-((R)-1-hydroxy-hexyl)-oc...) Show SMILES CCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCC Show InChI InChI=1S/C20H38O4/c1-3-5-7-9-15(21)17-11-13-19(23-17)20-14-12-18(24-20)16(22)10-8-6-4-2/h15-22H,3-14H2,1-2H3/t15-,16-,17-,18-,19-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles.				Bioorg Med Chem Lett 13: 2385-8 (2003) BindingDB Entry DOI: 10.7270/Q2N58MWC
					More data for this Ligand-Target Pair
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50130143 ((R)-1-[(2R,5R,2'R,5'R)-5'-((R)-1-hydroxy-hexyl)-oc...) Show SMILES CCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCC Show InChI InChI=1S/C20H38O4/c1-3-5-7-9-15(21)17-11-13-19(23-17)20-14-12-18(24-20)16(22)10-8-6-4-2/h15-22H,3-14H2,1-2H3/t15-,16-,17-,18-,19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay				Bioorg Med Chem Lett 16: 3555-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.082 BindingDB Entry DOI: 10.7270/Q2Z60Q8N
					More data for this Ligand-Target Pair
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411908 (CHEMBL256862) Show SMILES CCCCC\C(C)=C\Cc1oc(=O)c(C)c(O)c1CCC Show InChI InChI=1S/C18H28O3/c1-5-7-8-10-13(3)11-12-16-15(9-6-2)17(19)14(4)18(20)21-16/h11,19H,5-10,12H2,1-4H3/b13-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411906 (CHEMBL258094) Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)(C)C)oc(=O)c(C)c1O Show InChI InChI=1S/C20H30O3/c1-7-9-16-17(23-19(22)15(3)18(16)21)12-11-14(2)10-8-13-20(4,5)6/h8,11,13,21H,7,9-10,12H2,1-6H3/b13-8+,14-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411914 (IROMYCIN B) Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)(C)O)[nH]c(=O)c(C)c1O Show InChI InChI=1S/C19H29NO3/c1-6-8-15-16(20-18(22)14(3)17(15)21)11-10-13(2)9-7-12-19(4,5)23/h7,10,12,23H,6,8-9,11H2,1-5H3,(H2,20,21,22)/b12-7+,13-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411917 (CHEMBL256056) Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)(C)O)[nH]c(=O)c(C)c1OC Show InChI InChI=1S/C20H31NO3/c1-7-9-16-17(21-19(22)15(3)18(16)24-6)12-11-14(2)10-8-13-20(4,5)23/h8,11,13,23H,7,9-10,12H2,1-6H3,(H,21,22)/b13-8+,14-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411918 (IROMYCIN F) Show SMILES CCCC1C(C=CC(C)C\C=C\C(C)C)=NC(=O)C(C)(O)C1=O |w:5.4,c:14| Show InChI InChI=1S/C19H29NO3/c1-6-8-15-16(20-18(22)19(5,23)17(15)21)12-11-14(4)10-7-9-13(2)3/h7,9,11-15,23H,6,8,10H2,1-5H3/b9-7+,12-11?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411903 (IROMYCIN E) Show SMILES CCCC1(O)C(=O)C(C)C(=O)N=C1C=CC(C)C\C=C\C(C)C |w:13.13,c:11| Show InChI InChI=1S/C19H29NO3/c1-6-12-19(23)16(20-18(22)15(5)17(19)21)11-10-14(4)9-7-8-13(2)3/h7-8,10-11,13-15,23H,6,9,12H2,1-5H3/b8-7+,11-10?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411912 (IROMYCIN D) Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)O)[nH]c(=O)c(C)c1O Show InChI InChI=1S/C18H27NO3/c1-5-7-15-16(19-18(22)14(4)17(15)21)11-10-12(2)8-6-9-13(3)20/h6,9-10,13,20H,5,7-8,11H2,1-4H3,(H2,19,21,22)/b9-6+,12-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411915 (CHEMBL258095) Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)C)oc(=O)c(C)c1O Show InChI InChI=1S/C19H28O3/c1-6-8-16-17(22-19(21)15(5)18(16)20)12-11-14(4)10-7-9-13(2)3/h7,9,11,13,20H,6,8,10,12H2,1-5H3/b9-7+,14-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair