BDBM50070406 2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(4-{2-[8-(4-methyl-piperazin-1-yl)-naphthalen-2-yloxy]-acetylamino}-phenyl)-acetamide::CHEMBL282950

SMILES: CN1CCN(CC1)c1cccc2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12

InChI Key: InChIKey=CGHABSNFJJPLNR-UHFFFAOYSA-N

Data: 3 KI

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 = 50070406   

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))	BDBM50070406 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(4-{2-[8-...) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12 Show InChI InChI=1S/C35H38N6O4/c1-40-15-17-41(18-16-40)33-4-2-3-24-5-10-28(20-31(24)33)44-22-34(42)38-26-6-8-27(9-7-26)39-35(43)23-45-29-11-12-32-30(19-29)25(13-14-36)21-37-32/h2-12,19-21,37H,13-18,22-23,36H2,1H3,(H,38,42)(H,39,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	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 of the compound was evaluated at human recombinant 5-hydroxytryptamine 1D receptor using [3H]-5-CT as radioligand				Bioorg Med Chem Lett 8: 1407-12 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZJS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50070406 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(4-{2-[8-...) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12 Show InChI InChI=1S/C35H38N6O4/c1-40-15-17-41(18-16-40)33-4-2-3-24-5-10-28(20-31(24)33)44-22-34(42)38-26-6-8-27(9-7-26)39-35(43)23-45-29-11-12-32-30(19-29)25(13-14-36)21-37-32/h2-12,19-21,37H,13-18,22-23,36H2,1H3,(H,38,42)(H,39,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	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 of the compound was evaluated at human recombinant 5-hydroxytryptamine 1B receptor using [3H]-5-CT as radioligand				Bioorg Med Chem Lett 8: 1407-12 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZJS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50070406 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(4-{2-[8-...) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12 Show InChI InChI=1S/C35H38N6O4/c1-40-15-17-41(18-16-40)33-4-2-3-24-5-10-28(20-31(24)33)44-22-34(42)38-26-6-8-27(9-7-26)39-35(43)23-45-29-11-12-32-30(19-29)25(13-14-36)21-37-32/h2-12,19-21,37H,13-18,22-23,36H2,1H3,(H,38,42)(H,39,43)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80	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 of the compound was evaluated at human recombinant 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 8: 1407-12 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZJS
					More data for this Ligand-Target Pair