Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50074156'   

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))	BDBM50074156 (C-(3-{2-[(S)-3-(Benzylamino-methyl)-pyrrolidin-1-y...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN3CC[C@@H](CNCc4ccccc4)C3)c2c1 Show InChI InChI=1S/C24H32N4O2S/c1-25-31(29,30)18-20-7-8-24-23(13-20)22(16-27-24)10-12-28-11-9-21(17-28)15-26-14-19-5-3-2-4-6-19/h2-8,13,16,21,25-27H,9-12,14-15,17-18H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Affinity of compound towards 5-hydroxytryptamine 1D receptor was evaluated using radioligand binding technique				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))	BDBM50074156 (C-(3-{2-[(S)-3-(Benzylamino-methyl)-pyrrolidin-1-y...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN3CC[C@@H](CNCc4ccccc4)C3)c2c1 Show InChI InChI=1S/C24H32N4O2S/c1-25-31(29,30)18-20-7-8-24-23(13-20)22(16-27-24)10-12-28-11-9-21(17-28)15-26-14-19-5-3-2-4-6-19/h2-8,13,16,21,25-27H,9-12,14-15,17-18H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	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))	BDBM50074156 (C-(3-{2-[(S)-3-(Benzylamino-methyl)-pyrrolidin-1-y...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN3CC[C@@H](CNCc4ccccc4)C3)c2c1 Show InChI InChI=1S/C24H32N4O2S/c1-25-31(29,30)18-20-7-8-24-23(13-20)22(16-27-24)10-12-28-11-9-21(17-28)15-26-14-19-5-3-2-4-6-19/h2-8,13,16,21,25-27H,9-12,14-15,17-18H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.5	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