Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Inositol phosphorylceramide synthase catalytic subunit AUR1' and Ligand = 'BDBM50333120'   

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
Inositol phosphorylceramide synthase catalytic subunit AUR1 (Saccharomyces cerevisiae S288c)	BDBM50333120 (CHEMBL1631581 | Rustmicin) Show SMILES CC[C@@H]1CC(=O)[C@H](C)C(=O)[C@@](O)(CO)C\C(OC)=C\[C@@H](C)CC(=C)\C=C1/C |r,t:17,24| Show InChI InChI=1S/C22H34O5/c1-7-18-11-20(24)17(5)21(25)22(26,13-23)12-19(27-6)10-15(3)8-14(2)9-16(18)4/h9-10,15,17-18,23,26H,2,7-8,11-13H2,1,3-6H3/b16-9+,19-10-/t15-,17-,18+,22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corp. Curated by ChEMBL					Assay Description Reversible inhibition of Saccharomyces cerevisiae inositol phosphorylceramide synthase				Antimicrob Agents Chemother 53: 496-504 (2009) Article DOI: 10.1128/AAC.00633-08 BindingDB Entry DOI: 10.7270/Q27H1JV5
					More data for this Ligand-Target Pair
Inositol phosphorylceramide synthase catalytic subunit AUR1 (Saccharomyces cerevisiae S288c)	BDBM50333120 (CHEMBL1631581 | Rustmicin) Show SMILES CC[C@@H]1CC(=O)[C@H](C)C(=O)[C@@](O)(CO)C\C(OC)=C\[C@@H](C)CC(=C)\C=C1/C |r,t:17,24| Show InChI InChI=1S/C22H34O5/c1-7-18-11-20(24)17(5)21(25)22(26,13-23)12-19(27-6)10-15(3)8-14(2)9-16(18)4/h9-10,15,17-18,23,26H,2,7-8,11-13H2,1,3-6H3/b16-9+,19-10-/t15-,17-,18+,22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corp. Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae SJ21R inositol phosphorylceramide synthase preincubated for 30 mins				Antimicrob Agents Chemother 53: 496-504 (2009) Article DOI: 10.1128/AAC.00633-08 BindingDB Entry DOI: 10.7270/Q27H1JV5
					More data for this Ligand-Target Pair
Inositol phosphorylceramide synthase catalytic subunit AUR1 (Saccharomyces cerevisiae S288c)	BDBM50333120 (CHEMBL1631581 | Rustmicin) Show SMILES CC[C@@H]1CC(=O)[C@H](C)C(=O)[C@@](O)(CO)C\C(OC)=C\[C@@H](C)CC(=C)\C=C1/C |r,t:17,24| Show InChI InChI=1S/C22H34O5/c1-7-18-11-20(24)17(5)21(25)22(26,13-23)12-19(27-6)10-15(3)8-14(2)9-16(18)4/h9-10,15,17-18,23,26H,2,7-8,11-13H2,1,3-6H3/b16-9+,19-10-/t15-,17-,18+,22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corp. Curated by ChEMBL					Assay Description Inhibition of aureobasidin A-resistant Saccharomyces cerevisiae inositol phosphorylceramide synthase preincubated for 30 mins				Antimicrob Agents Chemother 53: 496-504 (2009) Article DOI: 10.1128/AAC.00633-08 BindingDB Entry DOI: 10.7270/Q27H1JV5
					More data for this Ligand-Target Pair