BDBM50033439 2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-phenyl-piperazin-1-yl)-ethanone::CHEMBL421064

SMILES: NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3)cc12

InChI Key: InChIKey=IPCSHRNCCTZQAU-UHFFFAOYSA-N

Data: 6 KI  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 8 hits for monomerid = 50033439   

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))	BDBM50033439 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-phenyl...) Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3)cc12 Show InChI InChI=1S/C22H26N4O2/c23-9-8-17-15-24-21-7-6-19(14-20(17)21)28-16-22(27)26-12-10-25(11-13-26)18-4-2-1-3-5-18/h1-7,14-15,24H,8-13,16,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description Binding affinity for cloned human 5-hydroxytryptamine 1D receptor beta				J Med Chem 38: 3602-7 (1995) BindingDB Entry DOI: 10.7270/Q25M66C2
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50033439 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-phenyl...) Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3)cc12 Show InChI InChI=1S/C22H26N4O2/c23-9-8-17-15-24-21-7-6-19(14-20(17)21)28-16-22(27)26-12-10-25(11-13-26)18-4-2-1-3-5-18/h1-7,14-15,24H,8-13,16,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor beta was determined				Bioorg Med Chem Lett 5: 663-666 (1995) Article DOI: 10.1016/0960-894X(95)00091-7 BindingDB Entry DOI: 10.7270/Q2ZK5GMX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50033439 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-phenyl...) Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3)cc12 Show InChI InChI=1S/C22H26N4O2/c23-9-8-17-15-24-21-7-6-19(14-20(17)21)28-16-22(27)26-12-10-25(11-13-26)18-4-2-1-3-5-18/h1-7,14-15,24H,8-13,16,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description Binding affinity to recombinant human 5-hydroxytryptamine 1D receptor alpha				J Med Chem 38: 3602-7 (1995) BindingDB Entry DOI: 10.7270/Q25M66C2
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50033439 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-phenyl...) Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3)cc12 Show InChI InChI=1S/C22H26N4O2/c23-9-8-17-15-24-21-7-6-19(14-20(17)21)28-16-22(27)26-12-10-25(11-13-26)18-4-2-1-3-5-18/h1-7,14-15,24H,8-13,16,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-HT 1A receptor in HeLa cells; va...				Bioorg Med Chem Lett 5: 663-666 (1995) Article DOI: 10.1016/0960-894X(95)00091-7 BindingDB Entry DOI: 10.7270/Q2ZK5GMX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50033439 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-phenyl...) Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3)cc12 Show InChI InChI=1S/C22H26N4O2/c23-9-8-17-15-24-21-7-6-19(14-20(17)21)28-16-22(27)26-12-10-25(11-13-26)18-4-2-1-3-5-18/h1-7,14-15,24H,8-13,16,23H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description Binding affinity for cloned human 5-hydroxytryptamine 1A receptor				J Med Chem 38: 3602-7 (1995) BindingDB Entry DOI: 10.7270/Q25M66C2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50033439 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-phenyl...) Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3)cc12 Show InChI InChI=1S/C22H26N4O2/c23-9-8-17-15-24-21-7-6-19(14-20(17)21)28-16-22(27)26-12-10-25(11-13-26)18-4-2-1-3-5-18/h1-7,14-15,24H,8-13,16,23H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxy tryptamine 1A (5-HT1A) receptor was determined				Bioorg Med Chem Lett 5: 663-666 (1995) Article DOI: 10.1016/0960-894X(95)00091-7 BindingDB Entry DOI: 10.7270/Q2ZK5GMX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50033439 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-phenyl...) Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3)cc12 Show InChI InChI=1S/C22H26N4O2/c23-9-8-17-15-24-21-7-6-19(14-20(17)21)28-16-22(27)26-12-10-25(11-13-26)18-4-2-1-3-5-18/h1-7,14-15,24H,8-13,16,23H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-hydroxytryptamine 1D receptor beta ...				Bioorg Med Chem Lett 5: 663-666 (1995) Article DOI: 10.1016/0960-894X(95)00091-7 BindingDB Entry DOI: 10.7270/Q2ZK5GMX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50033439 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-phenyl...) Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3)cc12 Show InChI InChI=1S/C22H26N4O2/c23-9-8-17-15-24-21-7-6-19(14-20(17)21)28-16-22(27)26-12-10-25(11-13-26)18-4-2-1-3-5-18/h1-7,14-15,24H,8-13,16,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	0.450	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-HT 1Dbeta receptor in CHO-K1 cells				Bioorg Med Chem Lett 5: 663-666 (1995) Article DOI: 10.1016/0960-894X(95)00091-7 BindingDB Entry DOI: 10.7270/Q2ZK5GMX
					More data for this Ligand-Target Pair