BDBM50024573 CHEMBL3330617::US9290463, A

SMILES: Cn1c(=O)cnn(CCCCN2CCN(CC2)c2cccc(Br)n2)c1=O

InChI Key: InChIKey=VZGYMMOPAWNKDV-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 = 50024573   

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))	BDBM50024573 (CHEMBL3330617 | US9290463, A) Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2cccc(Br)n2)c1=O Show InChI InChI=1S/C17H23BrN6O2/c1-21-16(25)13-19-24(17(21)26)8-3-2-7-22-9-11-23(12-10-22)15-6-4-5-14(18)20-15/h4-6,13H,2-3,7-12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay				Bioorg Med Chem Lett 24: 4759-62 (2014) Article DOI: 10.1016/j.bmcl.2014.07.048 BindingDB Entry DOI: 10.7270/Q2NZ896M
					More data for this Ligand-Target Pair
5-HT1A/ 5-HT2c (Homo sapiens (Human))	BDBM50024573 (CHEMBL3330617 | US9290463, A) Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2cccc(Br)n2)c1=O Show InChI InChI=1S/C17H23BrN6O2/c1-21-16(25)13-19-24(17(21)26)8-3-2-7-22-9-11-23(12-10-22)15-6-4-5-14(18)20-15/h4-6,13H,2-3,7-12H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4	-10.6	n/a	n/a	n/a	n/a	n/a	7.4	4
The Trustees of Columbia University in the City of New York US Patent					Assay Description Preparation of Membrane Fractions from CHO-h5-HT1A Cells. Membranes from CHO cells stably expressing the human 5-HT1A receptor at a density of 8 pmol...				US Patent US9290463 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RK0
					More data for this Ligand-Target Pair