Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50074159'   

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))	BDBM50074159 ((S)-4-[3-(2-{(S)-3-[((S)-1-Phenyl-ethylamino)-meth...) Show SMILES C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1)c1ccccc1 Show InChI InChI=1S/C27H34N4O2/c1-19(22-5-3-2-4-6-22)28-15-21-9-11-31(17-21)12-10-23-16-29-26-8-7-20(14-25(23)26)13-24-18-33-27(32)30-24/h2-8,14,16,19,21,24,28-29H,9-13,15,17-18H2,1H3,(H,30,32)/t19-,21-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	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))	BDBM50074159 ((S)-4-[3-(2-{(S)-3-[((S)-1-Phenyl-ethylamino)-meth...) Show SMILES C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1)c1ccccc1 Show InChI InChI=1S/C27H34N4O2/c1-19(22-5-3-2-4-6-22)28-15-21-9-11-31(17-21)12-10-23-16-29-26-8-7-20(14-25(23)26)13-24-18-33-27(32)30-24/h2-8,14,16,19,21,24,28-29H,9-13,15,17-18H2,1H3,(H,30,32)/t19-,21-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	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))	BDBM50074159 ((S)-4-[3-(2-{(S)-3-[((S)-1-Phenyl-ethylamino)-meth...) Show SMILES C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1)c1ccccc1 Show InChI InChI=1S/C27H34N4O2/c1-19(22-5-3-2-4-6-22)28-15-21-9-11-31(17-21)12-10-23-16-29-26-8-7-20(14-25(23)26)13-24-18-33-27(32)30-24/h2-8,14,16,19,21,24,28-29H,9-13,15,17-18H2,1H3,(H,30,32)/t19-,21-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.5	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