BDBM50403517 CHEMBL89878

SMILES: CCc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1

InChI Key: InChIKey=LLCUWOGFLPVSHF-UHFFFAOYSA-N

Data: 2 IC50

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 = 50403517   

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 1A (Homo sapiens (Human))	BDBM50403517 (CHEMBL89878) Show SMILES CCc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1 |t:15| Show InChI InChI=1S/C19H30N4O/c1-2-15-5-6-16-7-8-17(24-18(16)13-15)14-20-9-3-10-21-19-22-11-4-12-23-19/h5-6,13,17,20H,2-4,7-12,14H2,1H3,(H2,21,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to bind to 5-hydroxytryptamine 1A receptor subtype from cloned human expressed in Ha7 cells				Bioorg Med Chem Lett 5: 2649-2654 (1995) Article DOI: 10.1016/0960-894X(95)00473-7 BindingDB Entry DOI: 10.7270/Q20Z74GV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50403517 (CHEMBL89878) Show SMILES CCc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1 |t:15| Show InChI InChI=1S/C19H30N4O/c1-2-15-5-6-16-7-8-17(24-18(16)13-15)14-20-9-3-10-21-19-22-11-4-12-23-19/h5-6,13,17,20H,2-4,7-12,14H2,1H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra				Bioorg Med Chem Lett 5: 2649-2654 (1995) Article DOI: 10.1016/0960-894X(95)00473-7 BindingDB Entry DOI: 10.7270/Q20Z74GV
					More data for this Ligand-Target Pair