BDBM50286671 2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(3-methoxy-phenyl)-piperazin-1-yl]-ethanone::CHEMBL352234

SMILES: COc1cccc(c1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1

InChI Key: InChIKey=JXZFKONVCRZNRZ-UHFFFAOYSA-N

Data: 3 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 5 hits for monomerid = 50286671   

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
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50286671 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(3-met...) Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C23H28N4O3/c1-29-19-4-2-3-18(13-19)26-9-11-27(12-10-26)23(28)16-30-20-5-6-22-21(14-20)17(7-8-24)15-25-22/h2-6,13-15,25H,7-12,16,24H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.400	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 alpha 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
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50286671 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(3-met...) Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C23H28N4O3/c1-29-19-4-2-3-18(13-19)26-9-11-27(12-10-26)23(28)16-30-20-5-6-22-21(14-20)17(7-8-24)15-25-22/h2-6,13-15,25H,7-12,16,24H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2	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 1A (Homo sapiens (Human))	BDBM50286671 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(3-met...) Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C23H28N4O3/c1-29-19-4-2-3-18(13-19)26-9-11-27(12-10-26)23(28)16-30-20-5-6-22-21(14-20)17(7-8-24)15-25-22/h2-6,13-15,25H,7-12,16,24H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.80	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 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))	BDBM50286671 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(3-met...) Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C23H28N4O3/c1-29-19-4-2-3-18(13-19)26-9-11-27(12-10-26)23(28)16-30-20-5-6-22-21(14-20)17(7-8-24)15-25-22/h2-6,13-15,25H,7-12,16,24H2,1H3	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	0.240	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 1A (Homo sapiens (Human))	BDBM50286671 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(3-met...) Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C23H28N4O3/c1-29-19-4-2-3-18(13-19)26-9-11-27(12-10-26)23(28)16-30-20-5-6-22-21(14-20)17(7-8-24)15-25-22/h2-6,13-15,25H,7-12,16,24H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	85	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