Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50048472   

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 1D (RAT)	BDBM50217230 (CHEMBL95387) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cccc(Cl)c3Cl)c2c1 Show InChI InChI=1S/C20H19Cl2NO4/c1-10(24)11-7-8-15-13(9-11)17(18(25)20(2,3)27-15)23-19(26)12-5-4-6-14(21)16(12)22/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217225 (CHEMBL98434) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-7-8-16-15(10-12)17(18(24)20(2,3)26-16)22-19(25)13-5-4-6-14(21)9-13/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217226 (CHEMBL318906) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-7-8-16-15(10-12)17(18(24)20(2,3)26-16)22-19(25)13-5-4-6-14(21)9-13/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217210 (CHEMBL38918) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C20H19ClFNO4/c1-10(24)11-5-7-16-13(8-11)17(18(25)20(2,3)27-16)23-19(26)12-4-6-15(22)14(21)9-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217182 (CHEMBL318882) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccsc3Cl)c2c1 Show InChI InChI=1S/C18H18ClNO4S/c1-9(21)10-4-5-13-12(8-10)14(15(22)18(2,3)24-13)20-17(23)11-6-7-25-16(11)19/h4-8,14-15,22H,1-3H3,(H,20,23)/t14-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217211 (CHEMBL318022) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3cccc(Cl)c3Cl)c2c1 Show InChI InChI=1S/C20H19Cl2NO4/c1-10(24)11-7-8-15-13(9-11)17(18(25)20(2,3)27-15)23-19(26)12-5-4-6-14(21)16(12)22/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217231 (CHEMBL98433) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-8-9-16-14(10-12)17(18(24)20(2,3)26-16)22-19(25)13-6-4-5-7-15(13)21/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217178 (CHEMBL99341) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3Cl)c2c1 Show InChI InChI=1S/C20H18Cl3NO4/c1-9(25)10-4-5-15-12(6-10)17(18(26)20(2,3)28-15)24-19(27)13-7-11(21)8-14(22)16(13)23/h4-8,17-18,26H,1-3H3,(H,24,27)/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217229 (CHEMBL317732) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccc(F)cc3Cl)c2c1 Show InChI InChI=1S/C20H19ClFNO4/c1-10(24)11-4-7-16-14(8-11)17(18(25)20(2,3)27-16)23-19(26)13-6-5-12(22)9-15(13)21/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217183 (CHEMBL316885) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-8-9-16-14(10-12)17(18(24)20(2,3)26-16)22-19(25)13-6-4-5-7-15(13)21/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217180 (CHEMBL98388) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3ccc(F)cc3)c2c1 Show InChI InChI=1S/C20H20FNO4/c1-11(23)13-6-9-16-15(10-13)17(18(24)20(2,3)26-16)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217228 (CHEMBL98195) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccsc3)c2c1 Show InChI InChI=1S/C18H19NO4S/c1-10(20)11-4-5-14-13(8-11)15(16(21)18(2,3)23-14)19-17(22)12-6-7-24-9-12/h4-9,15-16,21H,1-3H3,(H,19,22)/t15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217181 (CHEMBL99584) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cccnc3)c2c1 Show InChI InChI=1S/C19H20N2O4/c1-11(22)12-6-7-15-14(9-12)16(17(23)19(2,3)25-15)21-18(24)13-5-4-8-20-10-13/h4-10,16-17,23H,1-3H3,(H,21,24)/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217179 (CHEMBL95250) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3c(Cl)cccc3Cl)c2c1 Show InChI InChI=1S/C20H19Cl2NO4/c1-10(24)11-7-8-15-12(9-11)17(18(25)20(2,3)27-15)23-19(26)16-13(21)5-4-6-14(16)22/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217212 (CHEMBL100521) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@H](NC(=O)c3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-7-8-16-15(10-12)17(18(24)20(2,3)26-16)22-19(25)13-5-4-6-14(21)9-13/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	<6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217184 (CHEMBL433377) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cnccn3)c2c1 Show InChI InChI=1S/C18H19N3O4/c1-10(22)11-4-5-14-12(8-11)15(16(23)18(2,3)25-14)21-17(24)13-9-19-6-7-20-13/h4-9,15-16,23H,1-3H3,(H,21,24)/t15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217227 (CHEMBL98214) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@H](NC(=O)c3ccc(F)cc3)c2c1 Show InChI InChI=1S/C20H20FNO4/c1-11(23)13-6-9-16-15(10-13)17(18(24)20(2,3)26-16)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair