BDBM50074183 1-Benzyl-4-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperazin-2-one::CHEMBL162899

SMILES: O=C1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CCN1Cc1ccccc1

InChI Key: InChIKey=MFHUVBVZMQDBAM-UHFFFAOYSA-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 = 50074183   

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))	BDBM50074183 (1-Benzyl-4-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl...) Show SMILES O=C1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CCN1Cc1ccccc1 Show InChI InChI=1S/C24H26N6O/c31-24-16-28(11-12-29(24)15-19-5-2-1-3-6-19)10-4-7-20-14-25-23-9-8-21(13-22(20)23)30-17-26-27-18-30/h1-3,5-6,8-9,13-14,17-18,25H,4,7,10-12,15-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60	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 to the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells				J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50074183 (1-Benzyl-4-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl...) Show SMILES O=C1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CCN1Cc1ccccc1 Show InChI InChI=1S/C24H26N6O/c31-24-16-28(11-12-29(24)15-19-5-2-1-3-6-19)10-4-7-20-14-25-23-9-8-21(13-22(20)23)30-17-26-27-18-30/h1-3,5-6,8-9,13-14,17-18,25H,4,7,10-12,15-16H2	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	282	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 cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells.				J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50074183 (1-Benzyl-4-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl...) Show SMILES O=C1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CCN1Cc1ccccc1 Show InChI InChI=1S/C24H26N6O/c31-24-16-28(11-12-29(24)15-19-5-2-1-3-6-19)10-4-7-20-14-25-23-9-8-21(13-22(20)23)30-17-26-27-18-30/h1-3,5-6,8-9,13-14,17-18,25H,4,7,10-12,15-16H2	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	7.5	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 human 5-hydroxytryptamine 1D receptor.				J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW
					More data for this Ligand-Target Pair