BDBM50033438 5-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(4-nitro-phenyl)-piperazin-1-yl]-pentan-1-one::CHEMBL324289

SMILES: NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12

InChI Key: InChIKey=QGKLVQRWDWTTFP-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 = 50033438   

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))	BDBM50033438 (5-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(4-nit...) Show SMILES NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12 Show InChI InChI=1S/C25H31N5O4/c26-11-10-19-18-27-24-9-8-22(17-23(19)24)34-16-2-1-3-25(31)29-14-12-28(13-15-29)20-4-6-21(7-5-20)30(32)33/h4-9,17-18,27H,1-3,10-16,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	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 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))	BDBM50033438 (5-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(4-nit...) Show SMILES NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12 Show InChI InChI=1S/C25H31N5O4/c26-11-10-19-18-27-24-9-8-22(17-23(19)24)34-16-2-1-3-25(31)29-14-12-28(13-15-29)20-4-6-21(7-5-20)30(32)33/h4-9,17-18,27H,1-3,10-16,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	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 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))	BDBM50033438 (5-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(4-nit...) Show SMILES NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12 Show InChI InChI=1S/C25H31N5O4/c26-11-10-19-18-27-24-9-8-22(17-23(19)24)34-16-2-1-3-25(31)29-14-12-28(13-15-29)20-4-6-21(7-5-20)30(32)33/h4-9,17-18,27H,1-3,10-16,26H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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