BDBM50033440 2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(2-nitro-phenyl)-piperazin-1-yl]-ethanone::CHEMBL332142

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

InChI Key: InChIKey=KFNKMGLTVNEZJL-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 = 50033440   

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))	BDBM50033440 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(2-nit...) Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3[N+]([O-])=O)cc12 Show InChI InChI=1S/C22H25N5O4/c23-8-7-16-14-24-19-6-5-17(13-18(16)19)31-15-22(28)26-11-9-25(10-12-26)20-3-1-2-4-21(20)27(29)30/h1-6,13-14,24H,7-12,15,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	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
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50033440 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(2-nit...) Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3[N+]([O-])=O)cc12 Show InChI InChI=1S/C22H25N5O4/c23-8-7-16-14-24-19-6-5-17(13-18(16)19)31-15-22(28)26-11-9-25(10-12-26)20-3-1-2-4-21(20)27(29)30/h1-6,13-14,24H,7-12,15,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.580	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50033440 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(2-nit...) Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3[N+]([O-])=O)cc12 Show InChI InChI=1S/C22H25N5O4/c23-8-7-16-14-24-19-6-5-17(13-18(16)19)31-15-22(28)26-11-9-25(10-12-26)20-3-1-2-4-21(20)27(29)30/h1-6,13-14,24H,7-12,15,23H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20	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 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