BDBM50083104 CHEMBL343217::[(R)-1-(4-Fluoro-phenyl)-2-methoxy-ethyl]-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amine

SMILES: COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1

InChI Key: InChIKey=COUOPYDUWJXPLJ-MHZLTWQESA-N

Data: 2 IC50

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 2 hits for monomerid = 50083104   

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))	BDBM50083104 (CHEMBL343217 | [(R)-1-(4-Fluoro-phenyl)-2-methoxy-...) Show SMILES COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H33FN6O/c1-35-17-27(20-4-6-22(28)7-5-20)32-23-10-13-33(14-11-23)12-2-3-21-16-29-26-9-8-24(15-25(21)26)34-18-30-31-19-34/h4-9,15-16,18-19,23,27,29,32H,2-3,10-14,17H2,1H3/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	1.40	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
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50083104 (CHEMBL343217 | [(R)-1-(4-Fluoro-phenyl)-2-methoxy-...) Show SMILES COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H33FN6O/c1-35-17-27(20-4-6-22(28)7-5-20)32-23-10-13-33(14-11-23)12-2-3-21-16-29-26-9-8-24(15-25(21)26)34-18-30-31-19-34/h4-9,15-16,18-19,23,27,29,32H,2-3,10-14,17H2,1H3/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	89	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