BDBM50060421 Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amine::CHEMBL117046

SMILES: C(CN1CCC(CC1)NCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1

InChI Key: InChIKey=KRGHFGLVEIKPNW-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 = 50060421   

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))	BDBM50060421 (Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...) Show SMILES C(CN1CCC(CC1)NCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C25H30N6/c1-2-5-20(6-3-1)16-26-22-10-13-30(14-11-22)12-4-7-21-17-27-25-9-8-23(15-24(21)25)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,22,26-27H,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	8	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor.				J Med Chem 40: 3497-500 (1997) Article DOI: 10.1021/jm9704558 BindingDB Entry DOI: 10.7270/Q2JQ103J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50060421 (Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...) Show SMILES C(CN1CCC(CC1)NCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C25H30N6/c1-2-5-20(6-3-1)16-26-22-10-13-30(14-11-22)12-4-7-21-17-27-25-9-8-23(15-24(21)25)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,22,26-27H,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	125	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human cloned 5-hydroxytryptamine 1B receptor in CHO cells by [3H]-5-HT binding displacement.				J Med Chem 40: 3497-500 (1997) Article DOI: 10.1021/jm9704558 BindingDB Entry DOI: 10.7270/Q2JQ103J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060421 (Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...) Show SMILES C(CN1CCC(CC1)NCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C25H30N6/c1-2-5-20(6-3-1)16-26-22-10-13-30(14-11-22)12-4-7-21-17-27-25-9-8-23(15-24(21)25)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,22,26-27H,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	n/a	n/a	7.60	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060421 (Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...) Show SMILES C(CN1CCC(CC1)NCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C25H30N6/c1-2-5-20(6-3-1)16-26-22-10-13-30(14-11-22)12-4-7-21-17-27-25-9-8-23(15-24(21)25)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,22,26-27H,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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50060421 (Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...) Show SMILES C(CN1CCC(CC1)NCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C25H30N6/c1-2-5-20(6-3-1)16-26-22-10-13-30(14-11-22)12-4-7-21-17-27-25-9-8-23(15-24(21)25)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,22,26-27H,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	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060421 (Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...) Show SMILES C(CN1CCC(CC1)NCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C25H30N6/c1-2-5-20(6-3-1)16-26-22-10-13-30(14-11-22)12-4-7-21-17-27-25-9-8-23(15-24(21)25)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,22,26-27H,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	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]-5-HT displacement.				J Med Chem 40: 3497-500 (1997) Article DOI: 10.1021/jm9704558 BindingDB Entry DOI: 10.7270/Q2JQ103J
					More data for this Ligand-Target Pair