BDBM50096796 CHEMBL2370667::macrocyclic lipopeptidolactone derivative

SMILES: [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCO)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C

InChI Key: InChIKey=UGSFHGTXKHQNSR-XQVXQFHRSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096796   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glucan Synthase (Candida albicans (Yeast))	BDBM50096796 (CHEMBL2370667 | macrocyclic lipopeptidolactone der...) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCO)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C71H115N13O24/c1-9-10-11-12-13-14-15-16-17-18-19-21-45-32-52(95)77-55(38(5)86)65(101)74-37(4)61(97)76-47(30-42-23-25-43(90)26-24-42)62(98)79-54(36(2)3)69(105)84-35-44(91)31-48(84)63(99)80-57(40(7)88)67(103)81-58(41(8)89)70(106)83-28-27-49(92)60(83)68(104)82-59(50(93)33-51(72)94)64(100)73-34-53(96)78-56(39(6)87)66(102)75-46(22-20-29-85)71(107)108-45/h23-26,36-41,44-50,54-60,85-93H,9-22,27-35H2,1-8H3,(H2,72,94)(H,73,100)(H,74,101)(H,75,102)(H,76,97)(H,77,95)(H,78,96)(H,79,98)(H,80,99)(H,81,103)(H,82,104)/t37-,38-,39-,40-,41-,44-,45-,46+,47+,48+,49+,50-,54+,55+,56+,57+,58+,59+,60+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>520	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans				Bioorg Med Chem Lett 11: 395-8 (2001) BindingDB Entry DOI: 10.7270/Q28051W2
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