BDBM50074149 CHEMBL348864::Methyl-((S)-1-phenyl-ethyl)-{(R)-1-[2-(5-[1,2,4]triazol-1-ylmethyl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine

SMILES: C[C@H](N(C)C[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1

InChI Key: InChIKey=QYMZFCVJJRAAID-GMAHTHKFSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50074149   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50074149 (CHEMBL348864 | Methyl-((S)-1-phenyl-ethyl)-{(R)-1-...) Show SMILES C[C@H](N(C)C[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1 Show InChI InChI=1S/C27H34N6/c1-21(24-6-4-3-5-7-24)31(2)16-23-10-12-32(17-23)13-11-25-15-29-27-9-8-22(14-26(25)27)18-33-20-28-19-30-33/h3-9,14-15,19-21,23,29H,10-13,16-18H2,1-2H3/t21-,23-/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))	BDBM50074149 (CHEMBL348864 | Methyl-((S)-1-phenyl-ethyl)-{(R)-1-...) Show SMILES C[C@H](N(C)C[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1 Show InChI InChI=1S/C27H34N6/c1-21(24-6-4-3-5-7-24)31(2)16-23-10-12-32(17-23)13-11-25-15-29-27-9-8-22(14-26(25)27)18-33-20-28-19-30-33/h3-9,14-15,19-21,23,29H,10-13,16-18H2,1-2H3/t21-,23-/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	4.5	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 1B (Homo sapiens (Human))	BDBM50074149 (CHEMBL348864 | Methyl-((S)-1-phenyl-ethyl)-{(R)-1-...) Show SMILES C[C@H](N(C)C[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1 Show InChI InChI=1S/C27H34N6/c1-21(24-6-4-3-5-7-24)31(2)16-23-10-12-32(17-23)13-11-25-15-29-27-9-8-22(14-26(25)27)18-33-20-28-19-30-33/h3-9,14-15,19-21,23,29H,10-13,16-18H2,1-2H3/t21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	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 1B 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