Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Siderocalin (Scn)'   

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))	BDBM104011 (Fluvibactin) Show SMILES C[C@H]1OC(=N[C@@H]1C(=O)N(CCCNC(=O)c1cccc(O)c1O)CCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O |r,c:3| Show InChI InChI=1S/C31H34N4O10/c1-17-24(34-30(45-17)20-9-4-12-23(38)27(20)41)31(44)35(15-5-13-32-28(42)18-7-2-10-21(36)25(18)39)16-6-14-33-29(43)19-8-3-11-22(37)26(19)40/h2-4,7-12,17,24,36-41H,5-6,13-16H2,1H3,(H,32,42)(H,33,43)/t17-,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	34	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
					More data for this Ligand-Target Pair
Neutrophil gelatinase-associated lipocalin (Homo sapiens (Human))	BDBM104013 (Vibriobactin) Show SMILES C[C@H]1OC(=NC1C(=O)CCCCN(CCCNC(=O)c1cccc(O)c1O)C(=O)[C@H]1N=C(O[C@@H]1C)c1cccc(O)c1O)c1cccc(O)c1O |r,c:3,32| Show InChI InChI=1S/C36H40N4O11/c1-19-28(38-34(50-19)22-10-6-14-26(43)31(22)46)24(41)12-3-4-17-40(18-8-16-37-33(48)21-9-5-13-25(42)30(21)45)36(49)29-20(2)51-35(39-29)23-11-7-15-27(44)32(23)47/h5-7,9-11,13-15,19-20,28-29,42-47H,3-4,8,12,16-18H2,1-2H3,(H,37,48)/t19-,20-,28?,29+/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	56	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
					More data for this Ligand-Target Pair
Neutrophil gelatinase-associated lipocalin (Homo sapiens (Human))	BDBM104012 (Fluvibactin A) Show SMILES C[C@@H](O)[C@H](NC(=O)c1cccc(O)c1O)C(=O)N(CCCNC(=O)c1cccc(O)c1O)CCCNC(=O)c1cccc(O)c1O |r| Show InChI InChI=1S/C31H36N4O11/c1-17(36)24(34-30(45)20-9-4-12-23(39)27(20)42)31(46)35(15-5-13-32-28(43)18-7-2-10-21(37)25(18)40)16-6-14-33-29(44)19-8-3-11-22(38)26(19)41/h2-4,7-12,17,24,36-42H,5-6,13-16H2,1H3,(H,32,43)(H,33,44)(H,34,45)/t17-,24+/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	12	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
					More data for this Ligand-Target Pair