Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Delta(7)-sterol 5(6)-desaturase' AND taxid = 5476   

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
Delta(7)-sterol 5(6)-desaturase (Candida albicans)	BDBM50055269 ((4S,4aS,6S,8aR)-8a-Methyl-1,2,4,4a,5,6,7,8,8a,8b-d...) Show SMILES C[C@]12CC[C@H](O)C[C@@H]1[C@@H](O)C=C1CCC21 |t:11| Show InChI InChI=1S/C13H20O2/c1-13-5-4-9(14)7-11(13)12(15)6-8-2-3-10(8)13/h6,9-12,14-15H,2-5,7H2,1H3/t9-,10?,11+,12-,13+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of 5-Desaturase involved in ergosterol biosynthesis				J Med Chem 39: 5092-9 (1997) Article DOI: 10.1021/jm9605851 BindingDB Entry DOI: 10.7270/Q2FJ2FWZ
					More data for this Ligand-Target Pair
Delta(7)-sterol 5(6)-desaturase (Candida albicans)	BDBM50055279 (4Alpha,5-Epoxy-7,22(E)-ergostadiem-3Beta-ol | CHEM...) Show SMILES C[C@]12CC[C@H](O)[C@H]3O[C@@]13CC=C1CCC21 |t:12| Show InChI InChI=1S/C13H18O2/c1-12-6-5-10(14)11-13(12,15-11)7-4-8-2-3-9(8)12/h4,9-11,14H,2-3,5-7H2,1H3/t9?,10-,11+,12+,13+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of 5-Desaturase involved in ergosterol biosynthesis				J Med Chem 39: 5092-9 (1997) Article DOI: 10.1021/jm9605851 BindingDB Entry DOI: 10.7270/Q2FJ2FWZ
					More data for this Ligand-Target Pair
Delta(7)-sterol 5(6)-desaturase (Candida albicans)	BDBM50055275 ((4aR,6S,8aR)-4a-Mercapto-8a-methyl-1,2,4,4a,5,6,7,...) Show SMILES C[C@]12CC[C@H](O)C[C@]1(S)CC=C1CCC21 |t:11| Show InChI InChI=1S/C13H20OS/c1-12-6-5-10(14)8-13(12,15)7-4-9-2-3-11(9)12/h4,10-11,14-15H,2-3,5-8H2,1H3/t10-,11?,12+,13+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of 5-Desaturase involved in ergosterol biosynthesis				J Med Chem 39: 5092-9 (1997) Article DOI: 10.1021/jm9605851 BindingDB Entry DOI: 10.7270/Q2FJ2FWZ
					More data for this Ligand-Target Pair
Delta(7)-sterol 5(6)-desaturase (Candida albicans)	BDBM50055272 ((4R,4aR,6S,8aR)-8a-Methyl-2,4,5,6,7,8,8a,8b-octahy...) Show SMILES C[C@]12CC[C@H](O)C[C@]1(O)[C@H](O)C=C1CCC21 |t:12| Show InChI InChI=1S/C13H20O3/c1-12-5-4-9(14)7-13(12,16)11(15)6-8-2-3-10(8)12/h6,9-11,14-16H,2-5,7H2,1H3/t9-,10?,11+,12+,13-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of 5-Desaturase involved in ergosterol biosynthesis				J Med Chem 39: 5092-9 (1997) Article DOI: 10.1021/jm9605851 BindingDB Entry DOI: 10.7270/Q2FJ2FWZ
					More data for this Ligand-Target Pair
Delta(7)-sterol 5(6)-desaturase (Candida albicans)	BDBM50055268 ((4aR,6S,8aR)-6-Hydroxy-8a-methyl-2,4,5,6,7,8,8a,8b...) Show SMILES C[C@]12CC[C@H](O)C[C@@]1(CC=C1CCC21)C(O)=O |t:10| Show InChI InChI=1S/C14H20O3/c1-13-6-5-10(15)8-14(13,12(16)17)7-4-9-2-3-11(9)13/h4,10-11,15H,2-3,5-8H2,1H3,(H,16,17)/t10-,11?,13+,14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of 5-Desaturase involved in ergosterol biosynthesis				J Med Chem 39: 5092-9 (1997) Article DOI: 10.1021/jm9605851 BindingDB Entry DOI: 10.7270/Q2FJ2FWZ
					More data for this Ligand-Target Pair
Delta(7)-sterol 5(6)-desaturase (Candida albicans)	BDBM50055271 ((4aR,6S,8aR)-4a-Hydroxymethyl-8a-methyl-1,2,4,4a,5...) Show SMILES C[C@]12CC[C@H](O)C[C@]1(CO)CC=C1CCC21 |t:12| Show InChI InChI=1S/C14H22O2/c1-13-6-5-11(16)8-14(13,9-15)7-4-10-2-3-12(10)13/h4,11-12,15-16H,2-3,5-9H2,1H3/t11-,12?,13+,14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of 5-Desaturase involved in ergosterol biosynthesis				J Med Chem 39: 5092-9 (1997) Article DOI: 10.1021/jm9605851 BindingDB Entry DOI: 10.7270/Q2FJ2FWZ
					More data for this Ligand-Target Pair
Delta(7)-sterol 5(6)-desaturase (Candida albicans)	BDBM50055276 ((4aR,6S,8aR)-6-Hydroxy-8a-methyl-2,4,5,6,7,8,8a,8b...) Show SMILES C[C@]12CC[C@H](O)C[C@@]1(CC=C1CCC21)C(N)=O |t:10| Show InChI InChI=1S/C14H21NO2/c1-13-6-5-10(16)8-14(13,12(15)17)7-4-9-2-3-11(9)13/h4,10-11,16H,2-3,5-8H2,1H3,(H2,15,17)/t10-,11?,13+,14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of 5-Desaturase involved in ergosterol biosynthesis				J Med Chem 39: 5092-9 (1997) Article DOI: 10.1021/jm9605851 BindingDB Entry DOI: 10.7270/Q2FJ2FWZ
					More data for this Ligand-Target Pair
Delta(7)-sterol 5(6)-desaturase (Candida albicans)	BDBM50055274 ((4aR,6S,8aR)-6-Hydroxy-8a-methyl-2,4,5,6,7,8,8a,8b...) Show SMILES C[C@]12CC[C@H](O)C[C@@]1(CC=C1CCC21)C=O |t:10| Show InChI InChI=1S/C14H20O2/c1-13-6-5-11(16)8-14(13,9-15)7-4-10-2-3-12(10)13/h4,9,11-12,16H,2-3,5-8H2,1H3/t11-,12?,13+,14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of 5-Desaturase involved in ergosterol biosynthesis				J Med Chem 39: 5092-9 (1997) Article DOI: 10.1021/jm9605851 BindingDB Entry DOI: 10.7270/Q2FJ2FWZ
					More data for this Ligand-Target Pair
Delta(7)-sterol 5(6)-desaturase (Candida albicans)	BDBM50055273 ((4aR,6S,8aR)-6-Hydroxy-8a-methyl-2,4,5,6,7,8,8a,8b...) Show SMILES C[C@]12CC[C@H](O)C[C@@]1(CC=C1CCC21)C#N |t:10| Show InChI InChI=1S/C14H19NO/c1-13-6-5-11(16)8-14(13,9-15)7-4-10-2-3-12(10)13/h4,11-12,16H,2-3,5-8H2,1H3/t11-,12?,13+,14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of 5-Desaturase involved in ergosterol biosynthesis				J Med Chem 39: 5092-9 (1997) Article DOI: 10.1021/jm9605851 BindingDB Entry DOI: 10.7270/Q2FJ2FWZ
					More data for this Ligand-Target Pair
Delta(7)-sterol 5(6)-desaturase (Candida albicans)	BDBM50055278 ((4aR,6S,8aR)-6-Hydroxy-8a-methyl-2,4,5,6,7,8,8a,8b...) Show SMILES C[C@]12CC[C@H](O)C[C@]1(CN=O)CC=C1CCC21 |t:13| Show InChI InChI=1S/C14H21NO2/c1-13-6-5-11(16)8-14(13,9-15-17)7-4-10-2-3-12(10)13/h4,11-12,16H,2-3,5-9H2,1H3/t11-,12?,13+,14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of 5-Desaturase involved in ergosterol biosynthesis				J Med Chem 39: 5092-9 (1997) Article DOI: 10.1021/jm9605851 BindingDB Entry DOI: 10.7270/Q2FJ2FWZ
					More data for this Ligand-Target Pair
Delta(7)-sterol 5(6)-desaturase (Candida albicans)	BDBM50055277 ((4aR,6S,8aR)-8a-Methyl-2,4,5,6,7,8,8a,8b-octahydro...) Show SMILES C[C@]12CC[C@H](O)C[C@]1(O)CC=C1CCC21 |t:11| Show InChI InChI=1S/C13H20O2/c1-12-6-5-10(14)8-13(12,15)7-4-9-2-3-11(9)12/h4,10-11,14-15H,2-3,5-8H2,1H3/t10-,11?,12+,13+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of 5-Desaturase involved in ergosterol biosynthesis				J Med Chem 39: 5092-9 (1997) Article DOI: 10.1021/jm9605851 BindingDB Entry DOI: 10.7270/Q2FJ2FWZ
					More data for this Ligand-Target Pair
Delta(7)-sterol 5(6)-desaturase (Candida albicans)	BDBM50055270 ((4S,4aR,6S,8aR)-8a-Methyl-2,4,5,6,7,8,8a,8b-octahy...) Show SMILES C[C@]12CC[C@H](O)C[C@]1(O)[C@@H](O)C=C1CCC21 |t:12| Show InChI InChI=1S/C13H20O3/c1-12-5-4-9(14)7-13(12,16)11(15)6-8-2-3-10(8)12/h6,9-11,14-16H,2-5,7H2,1H3/t9-,10?,11-,12+,13-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of 5-Desaturase involved in ergosterol biosynthesis				J Med Chem 39: 5092-9 (1997) Article DOI: 10.1021/jm9605851 BindingDB Entry DOI: 10.7270/Q2FJ2FWZ
					More data for this Ligand-Target Pair