Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50033383'   

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 (Homo sapiens (Human))	BDBM50033383 ((S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)m...) Show SMILES CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 Show InChI InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro binding affinity was determined towards cloned human 5-hydroxytryptamine 1D receptor using [3H]-5-CT radioligand				Bioorg Med Chem Lett 8: 675-80 (1999) BindingDB Entry DOI: 10.7270/Q24B30F8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50033383 ((S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)m...) Show SMILES CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 Show InChI InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description Binding affinity to recombinant human 5-hydroxytryptamine 1D receptor alpha				J Med Chem 38: 3602-7 (1995) BindingDB Entry DOI: 10.7270/Q25M66C2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50033383 ((S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)m...) Show SMILES CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 Show InChI InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description Binding affinity for cloned human 5-hydroxytryptamine 1D receptor beta				J Med Chem 38: 3602-7 (1995) BindingDB Entry DOI: 10.7270/Q25M66C2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50033383 ((S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)m...) Show SMILES CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 Show InChI InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50033383 ((S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)m...) Show SMILES CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 Show InChI InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1D receptor beta using rabbit saphenous vein assay.				J Med Chem 38: 3566-80 (1995) BindingDB Entry DOI: 10.7270/Q2GF0SJ4
					More data for this Ligand-Target Pair