BDBM50083106 2-Phenyl-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylamino}-propan-1-ol::CHEMBL148194

SMILES: CC(CO)(NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1

InChI Key: InChIKey=MZHNHIDJANIPQX-UHFFFAOYSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 50083106   

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))	BDBM50083106 (2-Phenyl-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3...) Show SMILES CC(CO)(NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1 Show InChI InChI=1S/C27H34N6O/c1-27(18-34,22-7-3-2-4-8-22)31-23-11-14-32(15-12-23)13-5-6-21-17-28-26-10-9-24(16-25(21)26)33-19-29-30-20-33/h2-4,7-10,16-17,19-20,23,28,31,34H,5-6,11-15,18H2,1H3	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	3.40	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 1B (Homo sapiens (Human))	BDBM50083106 (2-Phenyl-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3...) Show SMILES CC(CO)(NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1 Show InChI InChI=1S/C27H34N6O/c1-27(18-34,22-7-3-2-4-8-22)31-23-11-14-32(15-12-23)13-5-6-21-17-28-26-10-9-24(16-25(21)26)33-19-29-30-20-33/h2-4,7-10,16-17,19-20,23,28,31,34H,5-6,11-15,18H2,1H3	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	98	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells by [3H]-5-HT displacement.				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))	BDBM50083106 (2-Phenyl-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3...) Show SMILES CC(CO)(NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1 Show InChI InChI=1S/C27H34N6O/c1-27(18-34,22-7-3-2-4-8-22)31-23-11-14-32(15-12-23)13-5-6-21-17-28-26-10-9-24(16-25(21)26)33-19-29-30-20-33/h2-4,7-10,16-17,19-20,23,28,31,34H,5-6,11-15,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human cloned 5-hydroxytryptamine 1D receptor stably expressed in CHO cells by [3H]-5-HT displacement.				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair