BDBM50074160 (S)-2-Phenyl-2-({(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amino)-ethanol::CHEMBL351303

SMILES: OC[C@@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1

InChI Key: InChIKey=QYBNKBNKUCJAOT-UQBPGWFLSA-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 = 50074160   

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))	BDBM50074160 ((S)-2-Phenyl-2-({(S)-1-[2-(5-[1,2,4]triazol-4-yl-1...) Show SMILES OC[C@@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1 Show InChI InChI=1S/C25H30N6O/c32-16-25(20-4-2-1-3-5-20)26-13-19-8-10-30(15-19)11-9-21-14-27-24-7-6-22(12-23(21)24)31-17-28-29-18-31/h1-7,12,14,17-19,25-27,32H,8-11,13,15-16H2/t19-,25+/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	1.40	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 1B (Homo sapiens (Human))	BDBM50074160 ((S)-2-Phenyl-2-({(S)-1-[2-(5-[1,2,4]triazol-4-yl-1...) Show SMILES OC[C@@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1 Show InChI InChI=1S/C25H30N6O/c32-16-25(20-4-2-1-3-5-20)26-13-19-8-10-30(15-19)11-9-21-14-27-24-7-6-22(12-23(21)24)31-17-28-29-18-31/h1-7,12,14,17-19,25-27,32H,8-11,13,15-16H2/t19-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	165	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
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50074160 ((S)-2-Phenyl-2-({(S)-1-[2-(5-[1,2,4]triazol-4-yl-1...) Show SMILES OC[C@@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1 Show InChI InChI=1S/C25H30N6O/c32-16-25(20-4-2-1-3-5-20)26-13-19-8-10-30(15-19)11-9-21-14-27-24-7-6-22(12-23(21)24)31-17-28-29-18-31/h1-7,12,14,17-19,25-27,32H,8-11,13,15-16H2/t19-,25+/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	1.80	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