Compile Data Set for Download or QSAR

Found 720 hits with Last Name = 'southall' and Initial = 'nt'   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50459091 (ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cc[nH]n1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50237710 (4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Luciferin 4-monooxygenase (Photuris pennsylvanica)	BDBM50238226 (2-(5-biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine...) Show SMILES c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C19H13N3O/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)19-21-18(22-23-19)17-8-4-5-13-20-17/h1-13H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by noncompetitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photuris pennsylvanica)	BDBM50293100 (3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl biphenyl-4-c...) Show SMILES O=C(Oc1nc(no1)-c1ccccn1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H13N3O3/c24-19(16-11-9-15(10-12-16)14-6-2-1-3-7-14)25-20-22-18(23-26-20)17-8-4-5-13-21-17/h1-13H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by noncompetitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602606 (US11649218, Example NCGC00508975) Show SMILES O[C@H]1CCN(C1)c1cc(ccn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50478348 (CHEMBL406835) Show SMILES Oc1ccccc1-c1cc(=O)c2c(ccc3ccccc23)o1 Show InChI InChI=1S/C19H12O3/c20-15-8-4-3-7-14(15)18-11-16(21)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11,20H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photuris pennsylvanica)	BDBM50293101 (5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole ...) Show SMILES COc1ccc(-c2nc(no2)-c2ccccc2)c(OC)c1 Show InChI InChI=1S/C16H14N2O3/c1-19-12-8-9-13(14(10-12)20-2)16-17-15(18-21-16)11-6-4-3-5-7-11/h3-10H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by noncompetitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50478348 (CHEMBL406835) Show SMILES Oc1ccccc1-c1cc(=O)c2c(ccc3ccccc23)o1 Show InChI InChI=1S/C19H12O3/c20-15-8-4-3-7-14(15)18-11-16(21)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11,20H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50478343 (CHEMBL258888 | CID 2260658) Show SMILES Brc1ccccc1N\C=C/C(=O)c1ccccn1 Show InChI InChI=1S/C14H11BrN2O/c15-11-5-1-2-6-12(11)17-10-8-14(18)13-7-3-4-9-16-13/h1-10,17H/b10-8-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50238226 (2-(5-biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine...) Show SMILES c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C19H13N3O/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)19-21-18(22-23-19)17-8-4-5-13-20-17/h1-13H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photinus pyralis luciferase by noncompetitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photuris pennsylvanica)	BDBM50293102 (5-(2-methoxyphenyl)-3-(pyridin-2-yl)-1,2,4-oxadiaz...) Show SMILES COc1ccccc1-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C14H11N3O2/c1-18-12-8-3-2-6-10(12)14-16-13(17-19-14)11-7-4-5-9-15-11/h2-9H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by noncompetitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50478343 (CHEMBL258888 | CID 2260658) Show SMILES Brc1ccccc1N\C=C/C(=O)c1ccccn1 Show InChI InChI=1S/C14H11BrN2O/c15-11-5-1-2-6-12(11)17-10-8-14(18)13-7-3-4-9-16-13/h1-10,17H/b10-8-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602609 (US11649218, Example NCGC00507975) Show SMILES O[C@@H]1CCN(C1)c1cc(ccn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50478348 (CHEMBL406835) Show SMILES Oc1ccccc1-c1cc(=O)c2c(ccc3ccccc23)o1 Show InChI InChI=1S/C19H12O3/c20-15-8-4-3-7-14(15)18-11-16(21)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11,20H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM39025 (2-[5-(2-naphthyl)-1,2,4-oxadiazol-3-yl]pyridine | ...) Show SMILES c1ccc(nc1)-c1noc(n1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C17H11N3O/c1-2-6-13-11-14(9-8-12(13)5-1)17-19-16(20-21-17)15-7-3-4-10-18-15/h1-11H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50238226 (2-(5-biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine...) Show SMILES c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C19H13N3O/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)19-21-18(22-23-19)17-8-4-5-13-20-17/h1-13H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602536 (US11649218, Example NCGC00483140) Show SMILES FC(F)(F)Oc1ccc2c(NC(=O)c3cc(ccc3S2(=O)=O)-c2ccnc(c2)N2CCOCC2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602608 (US11649218, Example NCGC00508838) Show SMILES CN(CCO)c1cc(ccn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602612 (US11649218, Example NCGC00508972) Show SMILES CN(CCO)c1cccc(n1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602537 (US11649218, Example NCGC00481508) Show SMILES OCc1ccc2Nc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602611 (US11649218, Example NCGC00532289) Show SMILES O[C@@H]1CCN(C1)c1cccc(n1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM37601 (3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1-benzop...) Show SMILES CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1 Show InChI InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50238226 (2-(5-biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine...) Show SMILES c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C19H13N3O/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)19-21-18(22-23-19)17-8-4-5-13-20-17/h1-13H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM39048 (5-(2-chloranyl-4-methyl-phenyl)-3-phenyl-1,2,4-oxa...) Show SMILES Cc1ccc(-c2nc(no2)-c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C15H11ClN2O/c1-10-7-8-12(13(16)9-10)15-17-14(18-19-15)11-5-3-2-4-6-11/h2-9H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50293101 (5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole ...) Show SMILES COc1ccc(-c2nc(no2)-c2ccccc2)c(OC)c1 Show InChI InChI=1S/C16H14N2O3/c1-19-12-8-9-13(14(10-12)20-2)16-17-15(18-21-16)11-6-4-3-5-7-11/h3-10H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM38943 (2-(1,3-benzothiazol-2-yl)-1-phthalazinone | 2-(1,3...) Show SMILES O=c1n(ncc2ccccc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C15H9N3OS/c19-14-11-6-2-1-5-10(11)9-16-18(14)15-17-12-7-3-4-8-13(12)20-15/h1-9H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by Easy lite assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM39048 (5-(2-chloranyl-4-methyl-phenyl)-3-phenyl-1,2,4-oxa...) Show SMILES Cc1ccc(-c2nc(no2)-c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C15H11ClN2O/c1-10-7-8-12(13(16)9-10)15-17-14(18-19-15)11-5-3-2-4-6-11/h2-9H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602538 (US11649218, Example NCGC00411866) Show SMILES OCc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50478343 (CHEMBL258888 | CID 2260658) Show SMILES Brc1ccccc1N\C=C/C(=O)c1ccccn1 Show InChI InChI=1S/C14H11BrN2O/c15-11-5-1-2-6-12(11)17-10-8-14(18)13-7-3-4-9-16-13/h1-10,17H/b10-8-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by Easy lite assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50478343 (CHEMBL258888 | CID 2260658) Show SMILES Brc1ccccc1N\C=C/C(=O)c1ccccn1 Show InChI InChI=1S/C14H11BrN2O/c15-11-5-1-2-6-12(11)17-10-8-14(18)13-7-3-4-9-16-13/h1-10,17H/b10-8-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by PK-Light assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602539 (US11649218, Example NCGC00355551) Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc2Nc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50129791 ((4-Benzothiazol-2-yl-phenyl)-dimethyl-amine | 4-(B...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50478349 ((R)-INDOPROFEN | indoprofen) Show SMILES C[C@@H](C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O Show InChI InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50478343 (CHEMBL258888 | CID 2260658) Show SMILES Brc1ccccc1N\C=C/C(=O)c1ccccn1 Show InChI InChI=1S/C14H11BrN2O/c15-11-5-1-2-6-12(11)17-10-8-14(18)13-7-3-4-9-16-13/h1-10,17H/b10-8-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50293101 (5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole ...) Show SMILES COc1ccc(-c2nc(no2)-c2ccccc2)c(OC)c1 Show InChI InChI=1S/C16H14N2O3/c1-19-12-8-9-13(14(10-12)20-2)16-17-15(18-21-16)11-6-4-3-5-7-11/h3-10H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photinus pyralis luciferase by noncompetitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50478348 (CHEMBL406835) Show SMILES Oc1ccccc1-c1cc(=O)c2c(ccc3ccccc23)o1 Show InChI InChI=1S/C19H12O3/c20-15-8-4-3-7-14(15)18-11-16(21)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11,20H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by Easy lite assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM38943 (2-(1,3-benzothiazol-2-yl)-1-phthalazinone | 2-(1,3...) Show SMILES O=c1n(ncc2ccccc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C15H9N3OS/c19-14-11-6-2-1-5-10(11)9-16-18(14)15-17-12-7-3-4-8-13(12)20-15/h1-9H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by PK-Light assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM39025 (2-[5-(2-naphthyl)-1,2,4-oxadiazol-3-yl]pyridine | ...) Show SMILES c1ccc(nc1)-c1noc(n1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C17H11N3O/c1-2-6-13-11-14(9-8-12(13)5-1)17-19-16(20-21-17)15-7-3-4-10-18-15/h1-11H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM39025 (2-[5-(2-naphthyl)-1,2,4-oxadiazol-3-yl]pyridine | ...) Show SMILES c1ccc(nc1)-c1noc(n1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C17H11N3O/c1-2-6-13-11-14(9-8-12(13)5-1)17-19-16(20-21-17)15-7-3-4-10-18-15/h1-11H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50478352 (CHEMBL264933 | CID 2188632) Show SMILES CN(C)c1ccc(N\C=C/C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H18N2O/c1-19(2)16-10-8-15(9-11-16)18-13-12-17(20)14-6-4-3-5-7-14/h3-13,18H,1-2H3/b13-12-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM39025 (2-[5-(2-naphthyl)-1,2,4-oxadiazol-3-yl]pyridine | ...) Show SMILES c1ccc(nc1)-c1noc(n1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C17H11N3O/c1-2-6-13-11-14(9-8-12(13)5-1)17-19-16(20-21-17)15-7-3-4-10-18-15/h1-11H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by PK-Light assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM38894 (5-(3-chloranyl-4-methyl-phenyl)-3-pyridin-2-yl-1,2...) Show SMILES Cc1ccc(cc1Cl)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C14H10ClN3O/c1-9-5-6-10(8-11(9)15)14-17-13(18-19-14)12-4-2-3-7-16-12/h2-8H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM39025 (2-[5-(2-naphthyl)-1,2,4-oxadiazol-3-yl]pyridine | ...) Show SMILES c1ccc(nc1)-c1noc(n1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C17H11N3O/c1-2-6-13-11-14(9-8-12(13)5-1)17-19-16(20-21-17)15-7-3-4-10-18-15/h1-11H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by Easy lite assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602540 (US11649218, Example NCGC00481504) Show SMILES FC(F)(F)COc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM37601 (3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1-benzop...) Show SMILES CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1 Show InChI InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by PK-Light assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602541 (US11649218, Example NCGC00482446) Show SMILES FC(F)(F)Oc1ccc2c(NC(=O)c3cc(ccc3S2=O)-c2ccnc(c2)N2CCOCC2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by Easy lite assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair

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