Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Inositol phosphorylceramide synthase catalytic subunit AUR1'   

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)	BDBM50408926 (Aureobasidin A | CHEMBL1793802) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@H](C)CC |r| Show InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42+,43+,44+,45+,46+,47+,48+,49-,50-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	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)	BDBM50408926 (Aureobasidin A | CHEMBL1793802) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@H](C)CC |r| Show InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42+,43+,44+,45+,46+,47+,48+,49-,50-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	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
Inositol phosphorylceramide synthase catalytic subunit AUR1 (Saccharomyces cerevisiae S288c)	BDBM50408926 (Aureobasidin A | CHEMBL1793802) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@H](C)CC |r| Show InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42+,43+,44+,45+,46+,47+,48+,49-,50-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corp. Curated by ChEMBL					Assay Description 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	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)	BDBM50333121 (CHEMBL1631582 | Khafrefungin) Show SMILES CCCCCCCCCC[C@H](C)[C@@H](O)[C@@H](C)C=C(C)C=C(C)C(=O)[C@H](C)C=C(C)C(=O)O[C@H](CO)[C@@H](O)[C@H](O)C(O)=O |r,w:19.18,17.17,27.27| Show InChI InChI=1S/C33H56O9/c1-8-9-10-11-12-13-14-15-16-22(3)28(35)23(4)17-21(2)18-24(5)29(36)25(6)19-26(7)33(41)42-27(20-34)30(37)31(38)32(39)40/h17-19,22-23,25,27-28,30-31,34-35,37-38H,8-16,20H2,1-7H3,(H,39,40)/t22-,23-,25+,27+,28+,30+,31-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	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)	BDBM50333121 (CHEMBL1631582 | Khafrefungin) Show SMILES CCCCCCCCCC[C@H](C)[C@@H](O)[C@@H](C)C=C(C)C=C(C)C(=O)[C@H](C)C=C(C)C(=O)O[C@H](CO)[C@@H](O)[C@H](O)C(O)=O |r,w:19.18,17.17,27.27| Show InChI InChI=1S/C33H56O9/c1-8-9-10-11-12-13-14-15-16-22(3)28(35)23(4)17-21(2)18-24(5)29(36)25(6)19-26(7)33(41)42-27(20-34)30(37)31(38)32(39)40/h17-19,22-23,25,27-28,30-31,34-35,37-38H,8-16,20H2,1-7H3,(H,39,40)/t22-,23-,25+,27+,28+,30+,31-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+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
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