BDBM50083151 CHEMBL344537::[(R)-1-(4-Fluoro-phenyl)-2-methoxy-ethyl]-{1-[3-(5-[1,2,4]triazol-1-ylmethyl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amine

SMILES: COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(Cn4cncn4)cc23)CC1)c1ccc(F)cc1

InChI Key: InChIKey=YSUFYQOHSFXSTE-NDEPHWFRSA-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 = 50083151   

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))	BDBM50083151 (CHEMBL344537 | [(R)-1-(4-Fluoro-phenyl)-2-methoxy-...) Show SMILES COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(Cn4cncn4)cc23)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H35FN6O/c1-36-18-28(22-5-7-24(29)8-6-22)33-25-10-13-34(14-11-25)12-2-3-23-16-31-27-9-4-21(15-26(23)27)17-35-20-30-19-32-35/h4-9,15-16,19-20,25,28,31,33H,2-3,10-14,17-18H2,1H3/t28-/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	8.90	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))	BDBM50083151 (CHEMBL344537 | [(R)-1-(4-Fluoro-phenyl)-2-methoxy-...) Show SMILES COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(Cn4cncn4)cc23)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H35FN6O/c1-36-18-28(22-5-7-24(29)8-6-22)33-25-10-13-34(14-11-25)12-2-3-23-16-31-27-9-4-21(15-26(23)27)17-35-20-30-19-32-35/h4-9,15-16,19-20,25,28,31,33H,2-3,10-14,17-18H2,1H3/t28-/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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells				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))	BDBM50083151 (CHEMBL344537 | [(R)-1-(4-Fluoro-phenyl)-2-methoxy-...) Show SMILES COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(Cn4cncn4)cc23)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H35FN6O/c1-36-18-28(22-5-7-24(29)8-6-22)33-25-10-13-34(14-11-25)12-2-3-23-16-31-27-9-4-21(15-26(23)27)17-35-20-30-19-32-35/h4-9,15-16,19-20,25,28,31,33H,2-3,10-14,17-18H2,1H3/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair