Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Luciferin 4-monooxygenase' AND taxid = 7052   

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
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50370458 (CHEMBL610240) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COS(=O)(=O)NC(=O)c2csc(n2)-c2nc3ccc(O)cc3s2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H18N8O8S3/c22-16-13-17(24-6-23-16)29(7-25-13)21-15(32)14(31)11(37-21)4-36-40(34,35)28-18(33)10-5-38-19(27-10)20-26-9-2-1-8(30)3-12(9)39-20/h1-3,5-7,11,14-15,21,30-32H,4H2,(H,28,33)(H2,22,23,24)/t11-,14-,15-,21?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Connecticut College Curated by ChEMBL					Assay Description Inhibition constant against luciferase with respect to natural substrate luciferin				Bioorg Med Chem Lett 15: 3860-4 (2005) Article DOI: 10.1016/j.bmcl.2005.05.115 BindingDB Entry DOI: 10.7270/Q20002T6
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50370458 (CHEMBL610240) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COS(=O)(=O)NC(=O)c2csc(n2)-c2nc3ccc(O)cc3s2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H18N8O8S3/c22-16-13-17(24-6-23-16)29(7-25-13)21-15(32)14(31)11(37-21)4-36-40(34,35)28-18(33)10-5-38-19(27-10)20-26-9-2-1-8(30)3-12(9)39-20/h1-3,5-7,11,14-15,21,30-32H,4H2,(H,28,33)(H2,22,23,24)/t11-,14-,15-,21?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Connecticut College Curated by ChEMBL					Assay Description Inhibition constant against luciferase with respect to natural substrate Mg-ATP				Bioorg Med Chem Lett 15: 3860-4 (2005) Article DOI: 10.1016/j.bmcl.2005.05.115 BindingDB Entry DOI: 10.7270/Q20002T6
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50370458 (CHEMBL610240) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COS(=O)(=O)NC(=O)c2csc(n2)-c2nc3ccc(O)cc3s2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H18N8O8S3/c22-16-13-17(24-6-23-16)29(7-25-13)21-15(32)14(31)11(37-21)4-36-40(34,35)28-18(33)10-5-38-19(27-10)20-26-9-2-1-8(30)3-12(9)39-20/h1-3,5-7,11,14-15,21,30-32H,4H2,(H,28,33)(H2,22,23,24)/t11-,14-,15-,21?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Connecticut College Curated by ChEMBL					Assay Description Inhibition constant against luciferase with respect to luciferyl-adenylate				Bioorg Med Chem Lett 15: 3860-4 (2005) Article DOI: 10.1016/j.bmcl.2005.05.115 BindingDB Entry DOI: 10.7270/Q20002T6
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50352641 (CHEMBL1733803) Show SMILES OC(=O)C1CCN(CC1)c1ncc(s1)-c1ccc2OCCCOc2c1 Show InChI InChI=1S/C18H20N2O4S/c21-17(22)12-4-6-20(7-5-12)18-19-11-16(25-18)13-2-3-14-15(10-13)24-9-1-8-23-14/h2-3,10-12H,1,4-9H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of fire fly luciferase				J Med Chem 54: 6215-33 (2011) Article DOI: 10.1021/jm200497t BindingDB Entry DOI: 10.7270/Q22F7NVF
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50261811 (CHEMBL467379 | N-(5-Phenylpyridin-2-yl)benzamide) Show SMILES O=C(Nc1ccc(cn1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C18H14N2O/c21-18(15-9-5-2-6-10-15)20-17-12-11-16(13-19-17)14-7-3-1-4-8-14/h1-13H,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of firefly luciferase activity				J Med Chem 51: 4724-9 (2008) Article DOI: 10.1021/jm8004509 BindingDB Entry DOI: 10.7270/Q2BP02MH
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50272796 (3-Chloro-N-(5-phenylpyridin-2-yl)benzamide | CHEMB...) Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cn1)-c1ccccc1 Show InChI InChI=1S/C18H13ClN2O/c19-16-8-4-7-14(11-16)18(22)21-17-10-9-15(12-20-17)13-5-2-1-3-6-13/h1-12H,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of firefly luciferase activity				J Med Chem 51: 4724-9 (2008) Article DOI: 10.1021/jm8004509 BindingDB Entry DOI: 10.7270/Q2BP02MH
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50261869 (CHEMBL467971 | N-[5-(4-Methoxyphenyl)pyridin-2-yl]...) Show SMILES COc1ccc(cc1)-c1ccc(NC(=O)c2ccccc2)nc1 Show InChI InChI=1S/C19H16N2O2/c1-23-17-10-7-14(8-11-17)16-9-12-18(20-13-16)21-19(22)15-5-3-2-4-6-15/h2-13H,1H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of firefly luciferase activity				J Med Chem 51: 4724-9 (2008) Article DOI: 10.1021/jm8004509 BindingDB Entry DOI: 10.7270/Q2BP02MH
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50261868 (CHEMBL512625 | N-[5-(4-Chorophenyl)pyridin-2-yl]be...) Show SMILES Clc1ccc(cc1)-c1ccc(NC(=O)c2ccccc2)nc1 Show InChI InChI=1S/C18H13ClN2O/c19-16-9-6-13(7-10-16)15-8-11-17(20-12-15)21-18(22)14-4-2-1-3-5-14/h1-12H,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of firefly luciferase activity				J Med Chem 51: 4724-9 (2008) Article DOI: 10.1021/jm8004509 BindingDB Entry DOI: 10.7270/Q2BP02MH
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50238208 (2,4-dimethoxy-N-(5-methylpyridin-2-yl)benzamide | ...) Show SMILES COc1ccc(C(=O)Nc2ccc(C)cn2)c(OC)c1 Show InChI InChI=1S/C15H16N2O3/c1-10-4-7-14(16-9-10)17-15(18)12-6-5-11(19-2)8-13(12)20-3/h4-9H,1-3H3,(H,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of firefly luciferase activity				J Med Chem 51: 4724-9 (2008) Article DOI: 10.1021/jm8004509 BindingDB Entry DOI: 10.7270/Q2BP02MH
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50352639 (CHEMBL1719232) Show SMILES CC(C)Oc1cccc(c1)-c1cnc(s1)N1CCC(CC1)C(N)=O Show InChI InChI=1S/C18H23N3O2S/c1-12(2)23-15-5-3-4-14(10-15)16-11-20-18(24-16)21-8-6-13(7-9-21)17(19)22/h3-5,10-13H,6-9H2,1-2H3,(H2,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of fire fly luciferase				J Med Chem 54: 6215-33 (2011) Article DOI: 10.1021/jm200497t BindingDB Entry DOI: 10.7270/Q22F7NVF
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50272833 (4-Amino-N-(5-phenylpyridin-2-yl)benzamide | CHEMBL...) Show SMILES Nc1ccc(cc1)C(=O)Nc1ccc(cn1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O/c19-16-9-6-14(7-10-16)18(22)21-17-11-8-15(12-20-17)13-4-2-1-3-5-13/h1-12H,19H2,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of firefly luciferase activity				J Med Chem 51: 4724-9 (2008) Article DOI: 10.1021/jm8004509 BindingDB Entry DOI: 10.7270/Q2BP02MH
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50352634 (CHEMBL1699500) Show SMILES OC(=O)C1CCN(CC1)c1nc(cs1)-c1ccc(Br)cc1 Show InChI InChI=1S/C15H15BrN2O2S/c16-12-3-1-10(2-4-12)13-9-21-15(17-13)18-7-5-11(6-8-18)14(19)20/h1-4,9,11H,5-8H2,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of fire fly luciferase				J Med Chem 54: 6215-33 (2011) Article DOI: 10.1021/jm200497t BindingDB Entry DOI: 10.7270/Q22F7NVF
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50261810 (CHEMBL510929 | N-quinolin-2-yl benzamide) Show SMILES O=C(Nc1ccc2ccccc2n1)c1ccccc1 Show InChI InChI=1S/C16H12N2O/c19-16(13-7-2-1-3-8-13)18-15-11-10-12-6-4-5-9-14(12)17-15/h1-11H,(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of firefly luciferase activity				J Med Chem 51: 4724-9 (2008) Article DOI: 10.1021/jm8004509 BindingDB Entry DOI: 10.7270/Q2BP02MH
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50261867 (CHEMBL505491 | N-(5-Phenylpyridin-2-yl)cyclohexane...) Show SMILES O=C(Nc1ccc(cn1)-c1ccccc1)C1CCCCC1 Show InChI InChI=1S/C18H20N2O/c21-18(15-9-5-2-6-10-15)20-17-12-11-16(13-19-17)14-7-3-1-4-8-14/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of firefly luciferase activity				J Med Chem 51: 4724-9 (2008) Article DOI: 10.1021/jm8004509 BindingDB Entry DOI: 10.7270/Q2BP02MH
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50352636 (CHEMBL1721157) Show SMILES NC(=O)C1CCN(CC1)c1ncc(s1)-c1ccc2OCCCOc2c1 Show InChI InChI=1S/C18H21N3O3S/c19-17(22)12-4-6-21(7-5-12)18-20-11-16(25-18)13-2-3-14-15(10-13)24-9-1-8-23-14/h2-3,10-12H,1,4-9H2,(H2,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of fire fly luciferase				J Med Chem 54: 6215-33 (2011) Article DOI: 10.1021/jm200497t BindingDB Entry DOI: 10.7270/Q22F7NVF
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50352637 (CHEMBL1704063) Show SMILES NC(=O)C1CCN(CC1)c1nnc(s1)-c1ccc2OCCCOc2c1 Show InChI InChI=1S/C17H20N4O3S/c18-15(22)11-4-6-21(7-5-11)17-20-19-16(25-17)12-2-3-13-14(10-12)24-9-1-8-23-13/h2-3,10-11H,1,4-9H2,(H2,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of fire fly luciferase				J Med Chem 54: 6215-33 (2011) Article DOI: 10.1021/jm200497t BindingDB Entry DOI: 10.7270/Q22F7NVF
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50352642 (CHEMBL1709231) Show SMILES O=C(Nc1ccccc1)C1CCN(CC1)c1ncc(s1)-c1ccc2OCCCOc2c1 Show InChI InChI=1S/C24H25N3O3S/c28-23(26-19-5-2-1-3-6-19)17-9-11-27(12-10-17)24-25-16-22(31-24)18-7-8-20-21(15-18)30-14-4-13-29-20/h1-3,5-8,15-17H,4,9-14H2,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of fire fly luciferase				J Med Chem 54: 6215-33 (2011) Article DOI: 10.1021/jm200497t BindingDB Entry DOI: 10.7270/Q22F7NVF
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50352638 (CHEMBL1726915) Show SMILES Cc1ccc(cc1)-c1cnc(s1)N1CCC(CC1)C(N)=O Show InChI InChI=1S/C16H19N3OS/c1-11-2-4-12(5-3-11)14-10-18-16(21-14)19-8-6-13(7-9-19)15(17)20/h2-5,10,13H,6-9H2,1H3,(H2,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of fire fly luciferase				J Med Chem 54: 6215-33 (2011) Article DOI: 10.1021/jm200497t BindingDB Entry DOI: 10.7270/Q22F7NVF
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50261812 (CHEMBL459844 | N-(5-Methylpyridin-2-yl)benzamide) Show SMILES Cc1ccc(NC(=O)c2ccccc2)nc1 Show InChI InChI=1S/C13H12N2O/c1-10-7-8-12(14-9-10)15-13(16)11-5-3-2-4-6-11/h2-9H,1H3,(H,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Inhibition of firefly luciferase activity				J Med Chem 51: 4724-9 (2008) Article DOI: 10.1021/jm8004509 BindingDB Entry DOI: 10.7270/Q2BP02MH
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50352635 (CHEMBL1720902) Show SMILES CC(C)Oc1cccc(c1)-c1ccnc(n1)N1CCC(CC1)C(N)=O Show InChI InChI=1S/C19H24N4O2/c1-13(2)25-16-5-3-4-15(12-16)17-6-9-21-19(22-17)23-10-7-14(8-11-23)18(20)24/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H2,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of fire fly luciferase				J Med Chem 54: 6215-33 (2011) Article DOI: 10.1021/jm200497t BindingDB Entry DOI: 10.7270/Q22F7NVF
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50352640 (CHEMBL1712678) Show SMILES CSc1ccc(cc1)-c1cnc(s1)N1CCC(CC1)C(N)=O Show InChI InChI=1S/C16H19N3OS2/c1-21-13-4-2-11(3-5-13)14-10-18-16(22-14)19-8-6-12(7-9-19)15(17)20/h2-5,10,12H,6-9H2,1H3,(H2,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of fire fly luciferase				J Med Chem 54: 6215-33 (2011) Article DOI: 10.1021/jm200497t BindingDB Entry DOI: 10.7270/Q22F7NVF
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Luciola lateralis)	BDBM50357676 (CHEMBL1914948) Show SMILES CNc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C15H13N3O/c1-16-11-8-6-10(7-9-11)14-17-13-5-3-2-4-12(13)15(19)18-14/h2-9,16H,1H3,(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	730	n/a	n/a	n/a	n/a
MerLion Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of firefly luciferase by ATPlite assay in absence of AMPK				J Nat Prod 74: 1500-2 (2011) Article DOI: 10.1021/np1006179 BindingDB Entry DOI: 10.7270/Q29K4BNF
					More data for this Ligand-Target Pair