BDBM50083142 CHEMBL147940::N-{4-[({1-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylmethyl}-amino)-methyl]-phenyl}-acetamide

SMILES: CC(=O)Nc1ccc(CNCC2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1

InChI Key: InChIKey=JXVBEWOAJQNHNH-UHFFFAOYSA-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 = 50083142   

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 1B (Homo sapiens (Human))	BDBM50083142 (CHEMBL147940 | N-{4-[({1-[3-(5-[1,2,4]Triazol-4-yl...) Show SMILES CC(=O)Nc1ccc(CNCC2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1 Show InChI InChI=1S/C28H35N7O/c1-21(36)33-25-6-4-22(5-7-25)16-29-17-23-10-13-34(14-11-23)12-2-3-24-18-30-28-9-8-26(15-27(24)28)35-19-31-32-20-35/h4-9,15,18-20,23,29-30H,2-3,10-14,16-17H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90	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))	BDBM50083142 (CHEMBL147940 | N-{4-[({1-[3-(5-[1,2,4]Triazol-4-yl...) Show SMILES CC(=O)Nc1ccc(CNCC2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1 Show InChI InChI=1S/C28H35N7O/c1-21(36)33-25-6-4-22(5-7-25)16-29-17-23-10-13-34(14-11-23)12-2-3-24-18-30-28-9-8-26(15-27(24)28)35-19-31-32-20-35/h4-9,15,18-20,23,29-30H,2-3,10-14,16-17H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20	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