BDBM50271126 CHEMBL489453::N1,N3-bis(3-(1-methylpiperidin-4-yl)-1H-indol-5-yl)malonamide

SMILES: CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12

InChI Key: InChIKey=BOHPIAWTYPGAGL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50271126   

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))	BDBM50271126 (CHEMBL489453 | N1,N3-bis(3-(1-methylpiperidin-4-yl...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C31H38N6O2/c1-36-11-7-20(8-12-36)26-18-32-28-5-3-22(15-24(26)28)34-30(38)17-31(39)35-23-4-6-29-25(16-23)27(19-33-29)21-9-13-37(2)14-10-21/h3-6,15-16,18-21,32-33H,7-14,17H2,1-2H3,(H,34,38)(H,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50271126 (CHEMBL489453 | N1,N3-bis(3-(1-methylpiperidin-4-yl...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C31H38N6O2/c1-36-11-7-20(8-12-36)26-18-32-28-5-3-22(15-24(26)28)34-30(38)17-31(39)35-23-4-6-29-25(16-23)27(19-33-29)21-9-13-37(2)14-10-21/h3-6,15-16,18-21,32-33H,7-14,17H2,1-2H3,(H,34,38)(H,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair