BDBM50074200 3-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole::CHEMBL159396

SMILES: C(CN1CCN(CC1)c1ncccn1)Cc1c[nH]c2ccc(cc12)-n1cnnc1

InChI Key: InChIKey=KDIBFAUPWUSDGT-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 = 50074200   

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))	BDBM50074200 (3-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propyl]-5-[...) Show SMILES C(CN1CCN(CC1)c1ncccn1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C21H24N8/c1(8-27-9-11-28(12-10-27)21-22-6-2-7-23-21)3-17-14-24-20-5-4-18(13-19(17)20)29-15-25-26-16-29/h2,4-7,13-16,24H,1,3,8-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	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 1D (Homo sapiens (Human))	BDBM50074200 (3-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propyl]-5-[...) Show SMILES C(CN1CCN(CC1)c1ncccn1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C21H24N8/c1(8-27-9-11-28(12-10-27)21-22-6-2-7-23-21)3-17-14-24-20-5-4-18(13-19(17)20)29-15-25-26-16-29/h2,4-7,13-16,24H,1,3,8-12H2	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	0.600	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
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50074200 (3-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propyl]-5-[...) Show SMILES C(CN1CCN(CC1)c1ncccn1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C21H24N8/c1(8-27-9-11-28(12-10-27)21-22-6-2-7-23-21)3-17-14-24-20-5-4-18(13-19(17)20)29-15-25-26-16-29/h2,4-7,13-16,24H,1,3,8-12H2	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	0.5	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