BDBM50096798 CHEMBL2370655::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](CCCNC(=O)OC(C)(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=GXDADUMEGMCENI-CBOKENLDSA-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 = 50096798   

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))	BDBM50096798 (CHEMBL2370655 | 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](CCCNC(=O)OC(C)(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/C76H124N14O25/c1-12-13-14-15-16-17-18-19-20-21-22-24-48-35-55(100)83-58(41(5)91)68(106)80-40(4)64(102)82-50(33-45-26-28-46(95)29-27-45)65(103)85-57(39(2)3)72(110)90-38-47(96)34-51(90)66(104)86-60(43(7)93)70(108)87-61(44(8)94)73(111)89-32-30-52(97)63(89)71(109)88-62(53(98)36-54(77)99)67(105)79-37-56(101)84-59(42(6)92)69(107)81-49(74(112)114-48)25-23-31-78-75(113)115-76(9,10)11/h26-29,39-44,47-53,57-63,91-98H,12-25,30-38H2,1-11H3,(H2,77,99)(H,78,113)(H,79,105)(H,80,106)(H,81,107)(H,82,102)(H,83,100)(H,84,101)(H,85,103)(H,86,104)(H,87,108)(H,88,109)/t40-,41-,42-,43-,44-,47-,48-,49+,50+,51+,52+,53-,57+,58+,59+,60+,61+,62+,63+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	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
					More data for this Ligand-Target Pair