Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50060427'   

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))	BDBM50060427 (Benzyl-methyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-...) Show SMILES CN(C[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)Cc1ccccc1 Show InChI InChI=1S/C25H30N6/c1-29(15-20-5-3-2-4-6-20)16-21-9-11-30(17-21)12-10-22-14-26-25-8-7-23(13-24(22)25)31-18-27-28-19-31/h2-8,13-14,18-19,21,26H,9-12,15-17H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding from the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells				J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060427 (Benzyl-methyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-...) Show SMILES CN(C[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)Cc1ccccc1 Show InChI InChI=1S/C25H30N6/c1-29(15-20-5-3-2-4-6-20)16-21-9-11-30(17-21)12-10-22-14-26-25-8-7-23(13-24(22)25)31-18-27-28-19-31/h2-8,13-14,18-19,21,26H,9-12,15-17H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	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 (Homo sapiens (Human))	BDBM50060427 (Benzyl-methyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-...) Show SMILES CN(C[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)Cc1ccccc1 Show InChI InChI=1S/C25H30N6/c1-29(15-20-5-3-2-4-6-20)16-21-9-11-30(17-21)12-10-22-14-26-25-8-7-23(13-24(22)25)31-18-27-28-19-31/h2-8,13-14,18-19,21,26H,9-12,15-17H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the 5-hydroxytryptamine 1D receptor				J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060427 (Benzyl-methyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-...) Show SMILES CN(C[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)Cc1ccccc1 Show InChI InChI=1S/C25H30N6/c1-29(15-20-5-3-2-4-6-20)16-21-9-11-30(17-21)12-10-22-14-26-25-8-7-23(13-24(22)25)31-18-27-28-19-31/h2-8,13-14,18-19,21,26H,9-12,15-17H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	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