BDBM50060436 3-(3-{4-[2-(2-Fluoro-phenyl)-ethyl]-piperazin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole::CHEMBL116031

SMILES: Fc1ccccc1CCN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1

InChI Key: InChIKey=VBCXFKKLWRPZRO-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 = 50060436   

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))	BDBM50060436 (3-(3-{4-[2-(2-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) Show SMILES Fc1ccccc1CCN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H29FN6/c26-24-6-2-1-4-20(24)9-11-31-14-12-30(13-15-31)10-3-5-21-17-27-25-8-7-22(16-23(21)25)32-18-28-29-19-32/h1-2,4,6-8,16-19,27H,3,5,9-15H2	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	1.5	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 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
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060436 (3-(3-{4-[2-(2-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) Show SMILES Fc1ccccc1CCN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H29FN6/c26-24-6-2-1-4-20(24)9-11-31-14-12-30(13-15-31)10-3-5-21-17-27-25-8-7-22(16-23(21)25)32-18-28-29-19-32/h1-2,4,6-8,16-19,27H,3,5,9-15H2	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 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 1D (Homo sapiens (Human))	BDBM50060436 (3-(3-{4-[2-(2-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) Show SMILES Fc1ccccc1CCN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H29FN6/c26-24-6-2-1-4-20(24)9-11-31-14-12-30(13-15-31)10-3-5-21-17-27-25-8-7-22(16-23(21)25)32-18-28-29-19-32/h1-2,4,6-8,16-19,27H,3,5,9-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	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 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))	BDBM50060436 (3-(3-{4-[2-(2-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) Show SMILES Fc1ccccc1CCN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H29FN6/c26-24-6-2-1-4-20(24)9-11-31-14-12-30(13-15-31)10-3-5-21-17-27-25-8-7-22(16-23(21)25)32-18-28-29-19-32/h1-2,4,6-8,16-19,27H,3,5,9-15H2	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	98	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))	BDBM50060436 (3-(3-{4-[2-(2-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) Show SMILES Fc1ccccc1CCN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H29FN6/c26-24-6-2-1-4-20(24)9-11-31-14-12-30(13-15-31)10-3-5-21-17-27-25-8-7-22(16-23(21)25)32-18-28-29-19-32/h1-2,4,6-8,16-19,27H,3,5,9-15H2	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	1.40	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))	BDBM50060436 (3-(3-{4-[2-(2-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) Show SMILES Fc1ccccc1CCN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H29FN6/c26-24-6-2-1-4-20(24)9-11-31-14-12-30(13-15-31)10-3-5-21-17-27-25-8-7-22(16-23(21)25)32-18-28-29-19-32/h1-2,4,6-8,16-19,27H,3,5,9-15H2	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	100	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