BDBM50083126 (R)-2-(Methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amino)-2-phenyl-ethanol::CHEMBL423749

SMILES: CN([C@@H](CO)c1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1

InChI Key: InChIKey=NMBJRUZFPZJMHR-MHZLTWQESA-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 = 50083126   

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))	BDBM50083126 ((R)-2-(Methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...) Show SMILES CN([C@@H](CO)c1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C27H34N6O/c1-31(27(18-34)21-6-3-2-4-7-21)23-11-14-32(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)33-19-29-30-20-33/h2-4,6-7,9-10,16-17,19-20,23,27-28,34H,5,8,11-15,18H2,1H3/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50083126 ((R)-2-(Methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...) Show SMILES CN([C@@H](CO)c1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C27H34N6O/c1-31(27(18-34)21-6-3-2-4-7-21)23-11-14-32(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)33-19-29-30-20-33/h2-4,6-7,9-10,16-17,19-20,23,27-28,34H,5,8,11-15,18H2,1H3/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells by [3H]-5-HT displacement.				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50083126 ((R)-2-(Methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...) Show SMILES CN([C@@H](CO)c1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C27H34N6O/c1-31(27(18-34)21-6-3-2-4-7-21)23-11-14-32(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)33-19-29-30-20-33/h2-4,6-7,9-10,16-17,19-20,23,27-28,34H,5,8,11-15,18H2,1H3/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human cloned 5-hydroxytryptamine 1D receptor stably expressed in CHO cells by [3H]-5-HT displacement.				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair