Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1,3-beta-glucan synthase component GSC2' and Ligand = 'BDBM50290779'   

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
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae)	BDBM50290779 (CHEMBL264601 | Pneumocandin analogue) Show SMILES CCCc1cc(C[C@H](O)[C@@H]2NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@@H](C[C@@H](O)CNC(=O)[C@@H]3[C@@H](O)CCN3C(=O)[C@@H](NC2=O)[C@@H](O)CC(N)=O)NC(=O)CCCCCCCCC(C)CC(C)CC)[C@@H](C)O)ccc1O Show InChI InChI=1S/C53H86N8O15/c1-6-14-33-22-32(17-18-38(33)65)23-40(67)45-50(73)59-46(41(68)26-42(54)69)53(76)60-20-19-39(66)47(60)51(74)55-27-34(63)24-36(56-43(70)16-13-11-9-8-10-12-15-30(4)21-29(3)7-2)48(71)57-44(31(5)62)52(75)61-28-35(64)25-37(61)49(72)58-45/h17-18,22,29-31,34-37,39-41,44-47,62-68H,6-16,19-21,23-28H2,1-5H3,(H2,54,69)(H,55,74)(H,56,70)(H,57,71)(H,58,72)(H,59,73)/t29?,30?,31-,34-,35-,36-,37+,39+,40+,41+,44+,45+,46+,47+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.				Bioorg Med Chem Lett 7: 2879-2884 (1997) Article DOI: 10.1016/S0960-894X(97)10107-X BindingDB Entry DOI: 10.7270/Q2D79BDP
					More data for this Ligand-Target Pair