BDBM50074151 Benzyl-{(R)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine::CHEMBL159819

SMILES: C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@H](CNCc2ccccc2)C1

InChI Key: InChIKey=JCFDYNJSFCXYRT-HXUWFJFHSA-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 = 50074151   

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))	BDBM50074151 (Benzyl-{(R)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@H](CNCc2ccccc2)C1 Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m1/s1	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	4.10	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 1D (Homo sapiens (Human))	BDBM50074151 (Benzyl-{(R)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@H](CNCc2ccccc2)C1 Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	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
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50074151 (Benzyl-{(R)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@H](CNCc2ccccc2)C1 Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m1/s1	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	4.10	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 5-hydroxytryptamine 1D receptor				J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50074151 (Benzyl-{(R)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@H](CNCc2ccccc2)C1 Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	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 the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells				J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50074151 (Benzyl-{(R)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@H](CNCc2ccccc2)C1 Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m1/s1	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	47	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 the cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells				J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50074151 (Benzyl-{(R)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@H](CNCc2ccccc2)C1 Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m1/s1	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	50	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