BDBM50327025 (1S,3R,4S,5R)-N-(5-amino-1-(4-(octyloxy)phenylamino)-1-oxopentan-2-yl)-1,3,4,5-tetrahydroxycyclohexanecarboxamide::CHEMBL1254586

SMILES: CCCCCCCCOc1ccc(NC(=O)C(CCCN)NC(=O)[C@@]2(O)C[C@@H](O)[C@H](O)[C@H](O)C2)cc1

InChI Key: InChIKey=HFZRBOQOEOYULI-GCYSLVJSSA-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 = 50327025   

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
Beta-1,3-glucan synthase (Candida albicans)	BDBM50327025 ((1S,3R,4S,5R)-N-(5-amino-1-(4-(octyloxy)phenylamin...) Show SMILES CCCCCCCCOc1ccc(NC(=O)C(CCCN)NC(=O)[C@@]2(O)C[C@@H](O)[C@H](O)[C@H](O)C2)cc1 |r,wU:24.23,27.27,wD:24.24,31.31,29.29,(11.11,-33.82,;9.57,-33.82,;8.81,-35.15,;7.28,-35.15,;6.52,-36.48,;4.99,-36.48,;4.22,-37.81,;2.69,-37.81,;1.94,-39.14,;1.94,-40.68,;.61,-41.46,;.61,-43,;1.94,-43.77,;1.94,-45.31,;3.28,-46.08,;3.28,-47.62,;4.61,-45.31,;4.61,-43.77,;5.95,-43,;5.95,-41.46,;7.28,-40.69,;5.94,-46.08,;5.94,-47.62,;4.61,-48.39,;7.28,-48.39,;7.26,-46.85,;8.6,-47.61,;9.94,-48.39,;11.27,-47.63,;9.93,-49.93,;11.26,-50.71,;8.59,-50.7,;8.59,-52.24,;7.27,-49.93,;3.28,-43,;3.28,-41.45,)| Show InChI InChI=1S/C26H43N3O7/c1-2-3-4-5-6-7-15-36-19-12-10-18(11-13-19)28-24(33)20(9-8-14-27)29-25(34)26(35)16-21(30)23(32)22(31)17-26/h10-13,20-23,30-32,35H,2-9,14-17,27H2,1H3,(H,28,33)(H,29,34)/t20?,21-,22-,23-,26+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Inner Mongolia University Curated by ChEMBL					Assay Description Inhibition of Candida albicans 1,3 beta-D-glucan synthase				Bioorg Med Chem 18: 7009-14 (2010) Article DOI: 10.1016/j.bmc.2010.08.022 BindingDB Entry DOI: 10.7270/Q2DV1K28
					More data for this Ligand-Target Pair