BDBM50367323 CHEMBL1791436

SMILES: CCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NC(C(O)C(O)COC(N)=O)C(=O)NC([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)[nH]c1=O)C(O)=O

InChI Key: InChIKey=HPQZPRDMASVFQS-KNNMWSBRSA-N

Data: 1 KI

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 = 50367323   

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
Chitin synthase (Candida albicans)	BDBM50367323 (CHEMBL1791436) Show SMILES CCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NC(C(O)C(O)COC(N)=O)C(=O)NC([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C34H46N6O16/c1-2-3-4-5-9-12-20(42)36-18(13-16-10-7-6-8-11-16)28(47)37-21(23(43)19(41)15-55-33(35)53)29(48)38-22(32(51)52)26-24(44)25(45)30(56-26)40-14-17(31(49)50)27(46)39-34(40)54/h6-8,10-11,14,18-19,21-26,30,41,43-45H,2-5,9,12-13,15H2,1H3,(H2,35,53)(H,36,42)(H,37,47)(H,38,48)(H,49,50)(H,51,52)(H,39,46,54)/t18?,19?,21?,22?,23?,24-,25+,26+,30+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	7.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against chitin synthetase				J Med Chem 29: 802-9 (1986) BindingDB Entry DOI: 10.7270/Q2N01734
					More data for this Ligand-Target Pair