Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil gelatinase-associated lipocalin' and Ligand = 'BDBM104014'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neutrophil gelatinase-associated lipocalin (Homo sapiens (Human))	BDBM104014 (Vibriobactin A) Show SMILES C[C@@H](O)[C@H](NC(=O)c1cccc(O)c1O)C(=O)NCCCN(CCCNC(=O)c1cccc(O)c1O)C(=O)[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](C)O |r| Show InChI InChI=1S/C35H43N5O13/c1-18(41)26(38-32(50)21-9-4-12-24(44)29(21)47)34(52)37-15-7-17-40(16-6-14-36-31(49)20-8-3-11-23(43)28(20)46)35(53)27(19(2)42)39-33(51)22-10-5-13-25(45)30(22)48/h3-5,8-13,18-19,26-27,41-48H,6-7,14-17H2,1-2H3,(H,36,49)(H,37,52)(H,38,50)(H,39,51)/t18-,19-,26+,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	7.4	n/a
University of California					Assay Description The ligand solutions (10uM siderophore, TBS with 5% (v/v) DMSO, pH 7.4) were prepared from 4mM stock solution in DMSO. The protein solution was pre...				ACS Chem Biol 8: 1882-7 (2013) Article DOI: 10.1021/cb4002552 BindingDB Entry DOI: 10.7270/Q2S1815S
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