Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'de oliveira' and Initial = 'ca'   

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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50019696 (CHEMBL3286557) Show SMILES CNc1nc(nc2CCNCCc12)C(F)(F)c1ccccc1 Show InChI InChI=1S/C16H18F2N4/c1-19-14-12-7-9-20-10-8-13(12)21-15(22-14)16(17,18)11-5-3-2-4-6-11/h2-6,20H,7-10H2,1H3,(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50019685 (CHEMBL3286556) Show SMILES CNc1nc(Cc2ccccc2)nc2[C@@H](C)CNCCc12 |r| Show InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50019682 (CHEMBL3286564) Show SMILES C(c1ccccc1)c1nc2CCNCCc2c(n1)N1CCOCC1 Show InChI InChI=1S/C19H24N4O/c1-2-4-15(5-3-1)14-18-21-17-7-9-20-8-6-16(17)19(22-18)23-10-12-24-13-11-23/h1-5,20H,6-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50019664 (CHEMBL3286562) Show SMILES CCNc1nc(Cc2ccccc2)nc2CCNCCc12 Show InChI InChI=1S/C17H22N4/c1-2-19-17-14-8-10-18-11-9-15(14)20-16(21-17)12-13-6-4-3-5-7-13/h3-7,18H,2,8-12H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50019691 (CHEMBL3286565) Show SMILES CNc1nc(nc2CCNCCc12)C(C)c1ccccc1 Show InChI InChI=1S/C17H22N4/c1-12(13-6-4-3-5-7-13)16-20-15-9-11-19-10-8-14(15)17(18-2)21-16/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50019663 (CHEMBL3286561) Show SMILES CNc1nc(Cc2ccccc2)nc2CCNCCc12 Show InChI InChI=1S/C16H20N4/c1-17-16-13-7-9-18-10-8-14(13)19-15(20-16)11-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3,(H,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50019662 (CHEMBL3286560) Show SMILES COc1nc(Cc2ccccc2)nc2CCNCCc12 Show InChI InChI=1S/C16H19N3O/c1-20-16-13-7-9-17-10-8-14(13)18-15(19-16)11-12-5-3-2-4-6-12/h2-6,17H,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50019691 (CHEMBL3286565) Show SMILES CNc1nc(nc2CCNCCc12)C(C)c1ccccc1 Show InChI InChI=1S/C17H22N4/c1-12(13-6-4-3-5-7-13)16-20-15-9-11-19-10-8-14(15)17(18-2)21-16/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50019692 (CHEMBL3286566) Show SMILES CNc1nc(nc2CCNCCc12)C(C)(C)c1ccccc1 Show InChI InChI=1S/C18H24N4/c1-18(2,13-7-5-4-6-8-13)17-21-15-10-12-20-11-9-14(15)16(19-3)22-17/h4-8,20H,9-12H2,1-3H3,(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50019695 (CHEMBL3286555) Show SMILES CNc1nc(Cc2ccccc2)nc2[C@H](C)CNCCc12 |r| Show InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50019694 (CHEMBL3286554) Show SMILES CNc1nc(nc2CCNCCc12)C1(CC1)c1ccccc1 Show InChI InChI=1S/C18H22N4/c1-19-16-14-7-11-20-12-8-15(14)21-17(22-16)18(9-10-18)13-5-3-2-4-6-13/h2-6,20H,7-12H2,1H3,(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50342538 (2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...) Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1 Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50019674 (CHEMBL3286563) Show SMILES CN(C)c1nc(Cc2ccccc2)nc2CCNCCc12 Show InChI InChI=1S/C17H22N4/c1-21(2)17-14-8-10-18-11-9-15(14)19-16(20-17)12-13-6-4-3-5-7-13/h3-7,18H,8-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	233	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50019661 (CHEMBL3286559) Show SMILES Nc1nc(Cc2ccccc2)nc2CCNCCc12 Show InChI InChI=1S/C15H18N4/c16-15-12-6-8-17-9-7-13(12)18-14(19-15)10-11-4-2-1-3-5-11/h1-5,17H,6-10H2,(H2,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	958	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM82186 (AM-5) Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C21H16N2O4/c1-13-10-18(24)19(25)20(27-13)21(26)23-12-15-4-8-17(9-5-15)16-6-2-14(11-22)3-7-16/h2-10,25H,12H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego					Assay Description Inhibition assay using matrix metalloproteinases.				Chem Biol Drug Des 78: 191-8 (2011) Article DOI: 10.1111/j.1747-0285.2011.01148.x BindingDB Entry DOI: 10.7270/Q2KD1WDJ
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50264772 (3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic aci...) Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H21NO4/c1-17-15-23(28)24(29)25(31-17)26(30)27-16-18-7-9-20(10-8-18)22-13-11-21(12-14-22)19-5-3-2-4-6-19/h2-15,29H,16H2,1H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego					Assay Description Inhibition assay using matrix metalloproteinases.				Chem Biol Drug Des 78: 191-8 (2011) Article DOI: 10.1111/j.1747-0285.2011.01148.x BindingDB Entry DOI: 10.7270/Q2KD1WDJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50019685 (CHEMBL3286556) Show SMILES CNc1nc(Cc2ccccc2)nc2[C@@H](C)CNCCc12 |r| Show InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT2B receptor (unknown origin)				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50019696 (CHEMBL3286557) Show SMILES CNc1nc(nc2CCNCCc12)C(F)(F)c1ccccc1 Show InChI InChI=1S/C16H18F2N4/c1-19-14-12-7-9-20-10-8-13(12)21-15(22-14)16(17,18)11-5-3-2-4-6-11/h2-6,20H,7-10H2,1H3,(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT2B receptor (unknown origin)				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50019696 (CHEMBL3286557) Show SMILES CNc1nc(nc2CCNCCc12)C(F)(F)c1ccccc1 Show InChI InChI=1S/C16H18F2N4/c1-19-14-12-7-9-20-10-8-13(12)21-15(22-14)16(17,18)11-5-3-2-4-6-11/h2-6,20H,7-10H2,1H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT2A receptor (unknown origin)				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50241504 (3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic aci...) Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H17NO4/c1-13-11-17(22)18(23)19(25-13)20(24)21-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,23H,12H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego					Assay Description Inhibition assay using matrix metalloproteinases.				Chem Biol Drug Des 78: 191-8 (2011) Article DOI: 10.1111/j.1747-0285.2011.01148.x BindingDB Entry DOI: 10.7270/Q2KD1WDJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50019685 (CHEMBL3286556) Show SMILES CNc1nc(Cc2ccccc2)nc2[C@@H](C)CNCCc12 |r| Show InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT6 receptor (unknown origin)				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50019685 (CHEMBL3286556) Show SMILES CNc1nc(Cc2ccccc2)nc2[C@@H](C)CNCCc12 |r| Show InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT2A receptor (unknown origin)				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50019685 (CHEMBL3286556) Show SMILES CNc1nc(Cc2ccccc2)nc2[C@@H](C)CNCCc12 |r| Show InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT1A receptor (unknown origin)				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50019696 (CHEMBL3286557) Show SMILES CNc1nc(nc2CCNCCc12)C(F)(F)c1ccccc1 Show InChI InChI=1S/C16H18F2N4/c1-19-14-12-7-9-20-10-8-13(12)21-15(22-14)16(17,18)11-5-3-2-4-6-11/h2-6,20H,7-10H2,1H3,(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT1B receptor (unknown origin)				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM82186 (AM-5) Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C21H16N2O4/c1-13-10-18(24)19(25)20(27-13)21(26)23-12-15-4-8-17(9-5-15)16-6-2-14(11-22)3-7-16/h2-10,25H,12H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego					Assay Description Inhibition assay using matrix metalloproteinases.				Chem Biol Drug Des 78: 191-8 (2011) Article DOI: 10.1111/j.1747-0285.2011.01148.x BindingDB Entry DOI: 10.7270/Q2KD1WDJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50019696 (CHEMBL3286557) Show SMILES CNc1nc(nc2CCNCCc12)C(F)(F)c1ccccc1 Show InChI InChI=1S/C16H18F2N4/c1-19-14-12-7-9-20-10-8-13(12)21-15(22-14)16(17,18)11-5-3-2-4-6-11/h2-6,20H,7-10H2,1H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta-2 receptor (unknown origin)				J Med Chem 57: 5258-69 (2014) Article DOI: 10.1021/jm5003292 BindingDB Entry DOI: 10.7270/Q2J104RF
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27872 (N-(diphenylmethyl)-3-hydroxy-4-sulfanylidene-4H-py...) Show SMILES Oc1c(occc1=S)C(=S)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C19H15NO2S2/c21-17-15(23)11-12-22-18(17)19(24)20-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16,21H,(H,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27874 (3-hydroxy-N-[(3-methoxyphenyl)methyl]-4-sulfanylid...) Show SMILES COc1cccc(CNC(=S)c2occc(=S)c2O)c1 Show InChI InChI=1S/C14H13NO3S2/c1-17-10-4-2-3-9(7-10)8-15-14(20)13-12(16)11(19)5-6-18-13/h2-7,16H,8H2,1H3,(H,15,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27875 (N-benzyl-3-hydroxy-4-sulfanylidene-4H-pyran-2-carb...) Show SMILES Oc1c(occc1=S)C(=S)NCc1ccccc1 Show InChI InChI=1S/C13H11NO2S2/c15-11-10(17)6-7-16-12(11)13(18)14-8-9-4-2-1-3-5-9/h1-7,15H,8H2,(H,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27869 (3-hydroxy-N-[(4-phenylphenyl)methyl]-4-sulfanylide...) Show SMILES Oc1c(occc1=S)C(=S)NCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C19H15NO2S2/c21-17-16(23)10-11-22-18(17)19(24)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,21H,12H2,(H,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27873 (3-hydroxy-N-[(2-methoxyphenyl)methyl]-4-sulfanylid...) Show SMILES COc1ccccc1CNC(=S)c1occc(=S)c1O Show InChI InChI=1S/C14H13NO3S2/c1-17-10-5-3-2-4-9(10)8-15-14(20)13-12(16)11(19)6-7-18-13/h2-7,16H,8H2,1H3,(H,15,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27870 (N-[(4-fluorophenyl)methyl]-3-hydroxy-4-sulfanylide...) Show SMILES Oc1c(occc1=S)C(=S)NCc1ccc(F)cc1 Show InChI InChI=1S/C13H10FNO2S2/c14-9-3-1-8(2-4-9)7-15-13(19)12-11(16)10(18)5-6-17-12/h1-6,16H,7H2,(H,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50241504 (3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic aci...) Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H17NO4/c1-13-11-17(22)18(23)19(25-13)20(24)21-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,23H,12H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego					Assay Description Inhibition assay using matrix metalloproteinases.				Chem Biol Drug Des 78: 191-8 (2011) Article DOI: 10.1111/j.1747-0285.2011.01148.x BindingDB Entry DOI: 10.7270/Q2KD1WDJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27871 (3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-sulfanylid...) Show SMILES COc1ccc(CNC(=S)c2occc(=S)c2O)cc1 Show InChI InChI=1S/C14H13NO3S2/c1-17-10-4-2-9(3-5-10)8-15-14(20)13-12(16)11(19)6-7-18-13/h2-7,16H,8H2,1H3,(H,15,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27876 (N-ethyl-3-hydroxy-4-sulfanylidene-4H-pyran-2-carbo...) Show SMILES CCNC(=S)c1occc(=S)c1O Show InChI InChI=1S/C8H9NO2S2/c1-2-9-8(13)7-6(10)5(12)3-4-11-7/h3-4,10H,2H2,1H3,(H,9,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27859 (3-hydroxy-N-[(4-phenylphenyl)methyl]-4-sulfanylide...) Show SMILES Oc1c(occc1=S)C(=O)NCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C19H15NO3S/c21-17-16(24)10-11-23-18(17)19(22)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,21H,12H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27862 (N-(diphenylmethyl)-3-hydroxy-4-sulfanylidene-4H-py...) Show SMILES Oc1c(occc1=S)C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C19H15NO3S/c21-17-15(24)11-12-23-18(17)19(22)20-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16,21H,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27860 (N-[(4-fluorophenyl)methyl]-3-hydroxy-4-sulfanylide...) Show SMILES Oc1c(occc1=S)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C13H10FNO3S/c14-9-3-1-8(2-4-9)7-15-13(17)12-11(16)10(19)5-6-18-12/h1-6,16H,7H2,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27863 (3-hydroxy-N-[(2-methoxyphenyl)methyl]-4-sulfanylid...) Show SMILES COc1ccccc1CNC(=O)c1occc(=S)c1O Show InChI InChI=1S/C14H13NO4S/c1-18-10-5-3-2-4-9(10)8-15-14(17)13-12(16)11(20)6-7-19-13/h2-7,16H,8H2,1H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.35E+4	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27864 (3-hydroxy-N-[(3-methoxyphenyl)methyl]-4-sulfanylid...) Show SMILES COc1cccc(CNC(=O)c2occc(=S)c2O)c1 Show InChI InChI=1S/C14H13NO4S/c1-18-10-4-2-3-9(7-10)8-15-14(17)13-12(16)11(20)5-6-19-13/h2-7,16H,8H2,1H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.74E+4	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27867 (1-hydroxy-N-[(4-phenylphenyl)methyl]-6-sulfanylide...) Show SMILES On1c(cccc1=S)C(=O)NCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C19H16N2O2S/c22-19(17-7-4-8-18(24)21(17)23)20-13-14-9-11-16(12-10-14)15-5-2-1-3-6-15/h1-12,23H,13H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50264772 (3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic aci...) Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H21NO4/c1-17-15-23(28)24(29)25(31-17)26(30)27-16-18-7-9-20(10-8-18)22-13-11-21(12-14-22)19-5-3-2-4-6-19/h2-15,29H,16H2,1H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego					Assay Description Inhibition assay using matrix metalloproteinases.				Chem Biol Drug Des 78: 191-8 (2011) Article DOI: 10.1111/j.1747-0285.2011.01148.x BindingDB Entry DOI: 10.7270/Q2KD1WDJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27861 (3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-sulfanylid...) Show SMILES COc1ccc(CNC(=O)c2occc(=S)c2O)cc1 Show InChI InChI=1S/C14H13NO4S/c1-18-10-4-2-9(3-5-10)8-15-14(17)13-12(16)11(20)6-7-19-13/h2-7,16H,8H2,1H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.04E+4	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27866 (N-ethyl-3-hydroxy-4-sulfanylidene-4H-pyran-2-carbo...) Show SMILES CCNC(=O)c1occc(=S)c1O Show InChI InChI=1S/C8H9NO3S/c1-2-9-8(11)7-6(10)5(13)3-4-12-7/h3-4,10H,2H2,1H3,(H,9,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.25E+4	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27850 (N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-4H-pyra...) Show SMILES Oc1c(occc1=O)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C13H10FNO4/c14-9-3-1-8(2-4-9)7-15-13(18)12-11(17)10(16)5-6-19-12/h1-6,17H,7H2,(H,15,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27849 (3-hydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4H-pyra...) Show SMILES Oc1c(occc1=O)C(=O)NCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C19H15NO4/c21-16-10-11-24-18(17(16)22)19(23)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,22H,12H2,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27851 (3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxo-4H-pyr...) Show SMILES COc1ccc(CNC(=O)c2occc(=O)c2O)cc1 Show InChI InChI=1S/C14H13NO5/c1-19-10-4-2-9(3-5-10)8-15-14(18)13-12(17)11(16)6-7-20-13/h2-7,17H,8H2,1H3,(H,15,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27852 (N-(diphenylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-carb...) Show SMILES Oc1c(occc1=O)C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C19H15NO4/c21-15-11-12-24-18(17(15)22)19(23)20-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16,22H,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27853 (3-hydroxy-N-[(2-methoxyphenyl)methyl]-4-oxo-4H-pyr...) Show SMILES COc1ccccc1CNC(=O)c1occc(=O)c1O Show InChI InChI=1S/C14H13NO5/c1-19-11-5-3-2-4-9(11)8-15-14(18)13-12(17)10(16)6-7-20-13/h2-7,17H,8H2,1H3,(H,15,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM27854 (3-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxo-4H-pyr...) Show SMILES COc1cccc(CNC(=O)c2occc(=O)c2O)c1 Show InChI InChI=1S/C14H13NO5/c1-19-10-4-2-3-9(7-10)8-15-14(18)13-12(17)11(16)5-6-20-13/h2-7,17H,8H2,1H3,(H,15,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair

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