BDBM50065417 3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole::CHEMBL294732

SMILES: FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1

InChI Key: InChIKey=FQTAWOSMTOTGBJ-UHFFFAOYSA-N

Data: 7 IC50  3 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 10 hits for monomerid = 50065417   

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))	BDBM50065417 (3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...) Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	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 41: 2667-70 (1998) Article DOI: 10.1021/jm980204e BindingDB Entry DOI: 10.7270/Q22Z14PW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50065417 (3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...) Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2	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	n/a	n/a	66	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Agonist-induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with human 5-hydroxytryptamine 1B receptor				J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50065417 (3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...) Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of specific [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor expressed in CHO cells				J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50065417 (3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...) Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2	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	0.5	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Agonist induced [35S]-GTP-gammaS, binding in CHO cells expressing 5-HT 1d receptor				J Med Chem 41: 2667-70 (1998) Article DOI: 10.1021/jm980204e BindingDB Entry DOI: 10.7270/Q22Z14PW
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50065417 (3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...) Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human 5HT1D expressed in CHO cells by [35S]-GTPgammaS binding assay				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50065417 (3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...) Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2	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	0.400	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Agonist-induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50065417 (3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...) Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5HT-1D receptor expressed in CHO cells				J Med Chem 58: 8315-59 (2015) BindingDB Entry DOI: 10.7270/Q22J6DPZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50065417 (3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...) Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5HT-1B receptor expressed in CHO cells				J Med Chem 58: 8315-59 (2015) BindingDB Entry DOI: 10.7270/Q22J6DPZ
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50065417 (3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...) Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human 5HT1B expressed in CHO cells by [35S]-GTPgammaS binding assay				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50065417 (3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...) Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of specific [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1B receptor expressed in CHO cells				J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF
					More data for this Ligand-Target Pair