Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50033437'   

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))	BDBM50033437 (CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...) Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor				J Med Chem 42: 526-31 (1999) Article DOI: 10.1021/jm9805945 BindingDB Entry DOI: 10.7270/Q2668CBM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50033437 (CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...) Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	14	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))	BDBM50033437 (CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...) Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	40	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))	BDBM50033437 (CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...) Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]-5-HT displacement.				J Med Chem 40: 3497-500 (1997) Article DOI: 10.1021/jm9704558 BindingDB Entry DOI: 10.7270/Q2JQ103J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM50033437 (CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...) Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [125I]GTI binding to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM50033437 (CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...) Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]-5-HT binding to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM50033437 (CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...) Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against 5-hydroxytryptamine 2C receptor from human brain cortex using [3H]mesulergine as radioligand.				J Med Chem 38: 1799-810 (1995) BindingDB Entry DOI: 10.7270/Q20V8DZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50033437 (CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...) Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against 5-hydroxytryptamine 3 receptor from rat cortex homogenate using [3H]-Q-ICS 205-930 as radioligand.				J Med Chem 38: 1799-810 (1995) BindingDB Entry DOI: 10.7270/Q20V8DZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50033437 (CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...) Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	8.40	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor.				J Med Chem 40: 3497-500 (1997) Article DOI: 10.1021/jm9704558 BindingDB Entry DOI: 10.7270/Q2JQ103J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50033437 (CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...) Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit forskolin-stimulated adenylate cyclase in a cell line expressing human 5-hydroxytryptamine 1D receptor				J Med Chem 42: 526-31 (1999) Article DOI: 10.1021/jm9805945 BindingDB Entry DOI: 10.7270/Q2668CBM
					More data for this Ligand-Target Pair