BDBM50060444 3-[3-(4-Phenethyl-piperazin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole::CHEMBL117633

SMILES: C(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1

InChI Key: InChIKey=NRYCUQFVARKWSL-UHFFFAOYSA-N

Data: 4 IC50  2 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 6 hits for monomerid = 50060444   

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))	BDBM50060444 (3-[3-(4-Phenethyl-piperazin-1-yl)-propyl]-5-[1,2,4...) Show SMILES C(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C25H30N6/c1-2-5-21(6-3-1)10-12-30-15-13-29(14-16-30)11-4-7-22-18-26-25-9-8-23(17-24(22)25)31-19-27-28-20-31/h1-3,5-6,8-9,17-20,26H,4,7,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	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 from human 5-hydroxytryptamine 1D receptor expressed in CHO cells				J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50060444 (3-[3-(4-Phenethyl-piperazin-1-yl)-propyl]-5-[1,2,4...) Show SMILES C(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C25H30N6/c1-2-5-21(6-3-1)10-12-30-15-13-29(14-16-30)11-4-7-22-18-26-25-9-8-23(17-24(22)25)31-19-27-28-20-31/h1-3,5-6,8-9,17-20,26H,4,7,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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 from human 5-hydroxytryptamine 1B receptor expressed in CHO cells				J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060444 (3-[3-(4-Phenethyl-piperazin-1-yl)-propyl]-5-[1,2,4...) Show SMILES C(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C25H30N6/c1-2-5-21(6-3-1)10-12-30-15-13-29(14-16-30)11-4-7-22-18-26-25-9-8-23(17-24(22)25)31-19-27-28-20-31/h1-3,5-6,8-9,17-20,26H,4,7,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70	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 1D (Homo sapiens (Human))	BDBM50060444 (3-[3-(4-Phenethyl-piperazin-1-yl)-propyl]-5-[1,2,4...) Show SMILES C(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C25H30N6/c1-2-5-21(6-3-1)10-12-30-15-13-29(14-16-30)11-4-7-22-18-26-25-9-8-23(17-24(22)25)31-19-27-28-20-31/h1-3,5-6,8-9,17-20,26H,4,7,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	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))	BDBM50060444 (3-[3-(4-Phenethyl-piperazin-1-yl)-propyl]-5-[1,2,4...) Show SMILES C(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C25H30N6/c1-2-5-21(6-3-1)10-12-30-15-13-29(14-16-30)11-4-7-22-18-26-25-9-8-23(17-24(22)25)31-19-27-28-20-31/h1-3,5-6,8-9,17-20,26H,4,7,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	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))	BDBM50060444 (3-[3-(4-Phenethyl-piperazin-1-yl)-propyl]-5-[1,2,4...) Show SMILES C(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C25H30N6/c1-2-5-21(6-3-1)10-12-30-15-13-29(14-16-30)11-4-7-22-18-26-25-9-8-23(17-24(22)25)31-19-27-28-20-31/h1-3,5-6,8-9,17-20,26H,4,7,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.900	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 5-hydroxytryptamine 1D receptor				J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8
					More data for this Ligand-Target Pair