BDBM50096803 CHEMBL2370664::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](CCCN(C)C)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=RZWQMVHIFHIRPW-DLTMQLJGSA-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 = 50096803   

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))	BDBM50096803 (CHEMBL2370664 | 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](CCCN(C)C)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/C73H120N14O23/c1-11-12-13-14-15-16-17-18-19-20-21-23-47-34-54(97)79-57(40(5)88)67(103)76-39(4)63(99)78-49(32-44-25-27-45(92)28-26-44)64(100)81-56(38(2)3)71(107)87-37-46(93)33-50(87)65(101)82-59(42(7)90)69(105)83-60(43(8)91)72(108)86-31-29-51(94)62(86)70(106)84-61(52(95)35-53(74)96)66(102)75-36-55(98)80-58(41(6)89)68(104)77-48(73(109)110-47)24-22-30-85(9)10/h25-28,38-43,46-52,56-62,88-95H,11-24,29-37H2,1-10H3,(H2,74,96)(H,75,102)(H,76,103)(H,77,104)(H,78,99)(H,79,97)(H,80,98)(H,81,100)(H,82,101)(H,83,105)(H,84,106)/t39-,40-,41-,42-,43-,46-,47-,48+,49+,50+,51+,52-,56+,57+,58+,59+,60+,61+,62+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	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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