Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50048506   

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 2B (Homo sapiens (Human))	BDBM50218750 (CHEMBL299498) Show SMILES Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12 Show InChI InChI=1S/C19H16N4O/c1-23-11-9-13-12-14(6-7-18(13)23)21-19(24)22-17-8-10-20-16-5-3-2-4-15(16)17/h2-12H,1H3,(H2,20,21,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2B receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50218751 (CHEMBL300835) Show SMILES Cc1cc2cc(NC(=O)Nc3ccnc4ccccc34)ccc2n1C Show InChI InChI=1S/C20H18N4O/c1-13-11-14-12-15(7-8-19(14)24(13)2)22-20(25)23-18-9-10-21-17-6-4-3-5-16(17)18/h3-12H,1-2H3,(H2,21,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2B receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50218748 (CHEMBL301209) Show SMILES CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12 Show InChI InChI=1S/C19H18N4O/c1-23-11-9-13-12-14(6-7-18(13)23)21-19(24)22-17-8-10-20-16-5-3-2-4-15(16)17/h2-8,10,12H,9,11H2,1H3,(H2,20,21,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2B receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50218752 (CHEMBL56557) Show SMILES COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl Show InChI InChI=1S/C17H14ClN3O2/c1-23-16-7-6-11(10-13(16)18)20-17(22)21-15-8-9-19-14-5-3-2-4-12(14)15/h2-10H,1H3,(H2,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2B receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50218750 (CHEMBL299498) Show SMILES Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12 Show InChI InChI=1S/C19H16N4O/c1-23-11-9-13-12-14(6-7-18(13)23)21-19(24)22-17-8-10-20-16-5-3-2-4-15(16)17/h2-12H,1H3,(H2,20,21,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50218745 (CHEMBL57135) Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 Show InChI InChI=1S/C20H22N4O/c1-3-24(4-2)16-11-9-15(10-12-16)22-20(25)23-19-13-14-21-18-8-6-5-7-17(18)19/h5-14H,3-4H2,1-2H3,(H2,21,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50218749 (CHEMBL54062) Show SMILES CSc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 Show InChI InChI=1S/C17H15N3OS/c1-22-13-8-6-12(7-9-13)19-17(21)20-16-10-11-18-15-5-3-2-4-14(15)16/h2-11H,1H3,(H2,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2B receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50218749 (CHEMBL54062) Show SMILES CSc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 Show InChI InChI=1S/C17H15N3OS/c1-22-13-8-6-12(7-9-13)19-17(21)20-16-10-11-18-15-5-3-2-4-14(15)16/h2-11H,1H3,(H2,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50218748 (CHEMBL301209) Show SMILES CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12 Show InChI InChI=1S/C19H18N4O/c1-23-11-9-13-12-14(6-7-18(13)23)21-19(24)22-17-8-10-20-16-5-3-2-4-15(16)17/h2-8,10,12H,9,11H2,1H3,(H2,20,21,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50218745 (CHEMBL57135) Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 Show InChI InChI=1S/C20H22N4O/c1-3-24(4-2)16-11-9-15(10-12-16)22-20(25)23-19-13-14-21-18-8-6-5-7-17(18)19/h5-14H,3-4H2,1-2H3,(H2,21,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2B receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50218752 (CHEMBL56557) Show SMILES COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl Show InChI InChI=1S/C17H14ClN3O2/c1-23-16-7-6-11(10-13(16)18)20-17(22)21-15-8-9-19-14-5-3-2-4-12(14)15/h2-10H,1H3,(H2,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50218751 (CHEMBL300835) Show SMILES Cc1cc2cc(NC(=O)Nc3ccnc4ccccc34)ccc2n1C Show InChI InChI=1S/C20H18N4O/c1-13-11-14-12-15(7-8-19(14)24(13)2)22-20(25)23-18-9-10-21-17-6-4-3-5-16(17)18/h3-12H,1-2H3,(H2,21,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50218747 (CHEMBL417753) Show SMILES CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 Show InChI InChI=1S/C18H18N4O/c1-22(2)14-9-7-13(8-10-14)20-18(23)21-17-11-12-19-16-6-4-3-5-15(16)17/h3-12H,1-2H3,(H2,19,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2B receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50218747 (CHEMBL417753) Show SMILES CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 Show InChI InChI=1S/C18H18N4O/c1-22(2)14-9-7-13(8-10-14)20-18(23)21-17-11-12-19-16-6-4-3-5-15(16)17/h3-12H,1-2H3,(H2,19,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50218746 (CHEMBL59266) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1 Show InChI InChI=1S/C18H14N4O2/c1-11-20-16-7-6-12(10-17(16)24-11)21-18(23)22-15-8-9-19-14-5-3-2-4-13(14)15/h2-10H,1H3,(H2,19,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50218746 (CHEMBL59266) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1 Show InChI InChI=1S/C18H14N4O2/c1-11-20-16-7-6-12(10-17(16)24-11)21-18(23)22-15-8-9-19-14-5-3-2-4-13(14)15/h2-10H,1H3,(H2,19,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2B receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50384416 (CHEMBL2111553 | CHEMBL291536 | SB-334867) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2B receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50384416 (CHEMBL2111553 | CHEMBL291536 | SB-334867) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor				Bioorg Med Chem Lett 11: 1907-10 (2001) BindingDB Entry DOI: 10.7270/Q2G16318
					More data for this Ligand-Target Pair