Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'L-ornithine N(5)-monooxygenase'   

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
L-ornithine N(5)-monooxygenase (Aspergillus fumigatus (Fungus))	BDBM205457 ((2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9...) Show SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O |r,c:1,6,11,t:9| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	7.5	n/a
Virginia Tech					Assay Description Briefly, this assay consists of the formation of nitrite from hydroxyl amine that is quantified by formation of a chromophore with α-naphthylami...				ACS Chem Biol 11: 3035-3042 (2016) Article DOI: 10.1021/acschembio.6b00666 BindingDB Entry DOI: 10.7270/Q2QZ28S5
					More data for this Ligand-Target Pair
L-ornithine N(5)-monooxygenase (Aspergillus fumigatus (Fungus))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of Aspergillus fumigatus N-terminal 6His-tagged SidA expressed in Escherichia coli BL21 (DE3) using L-ornithine as substra...				J Med Chem 61: 5484-5511 (2018) Article DOI: 10.1021/acs.jmedchem.7b01413 BindingDB Entry DOI: 10.7270/Q26112X4
					More data for this Ligand-Target Pair
L-ornithine N(5)-monooxygenase (Aspergillus fumigatus (Fungus))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of Aspergillus fumigatus N-terminal 6His-tagged SidA expressed in Escherichia coli BL21 (DE3) by FP assay				J Med Chem 61: 5484-5511 (2018) Article DOI: 10.1021/acs.jmedchem.7b01413 BindingDB Entry DOI: 10.7270/Q26112X4
					More data for this Ligand-Target Pair
L-ornithine N(5)-monooxygenase (Aspergillus fumigatus (Fungus))	BDBM205457 ((2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9...) Show SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O |r,c:1,6,11,t:9| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	7.0	n/a
Virginia Tech					Assay Description The 96 well plates were used, and the reaction volume was 25 μL using 50 mM sodium phosphate buffer (pH 7.0). For the screening, 30 nM of ADP-TA...				ACS Chem Biol 11: 3035-3042 (2016) Article DOI: 10.1021/acschembio.6b00666 BindingDB Entry DOI: 10.7270/Q2QZ28S5
					More data for this Ligand-Target Pair