BDBM50223277 2-(benzylamino)-4-(4-methylpiperazin-1-yl)benzonitrile::CHEMBL250401

SMILES: CN1CCN(CC1)c1ccc(C#N)c(NCc2ccccc2)c1

InChI Key: InChIKey=HZHGVNZFZLEQOX-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 = 50223277   

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 2A (Homo sapiens (Human))	BDBM50223277 (2-(benzylamino)-4-(4-methylpiperazin-1-yl)benzonit...) Show SMILES CN1CCN(CC1)c1ccc(C#N)c(NCc2ccccc2)c1 Show InChI InChI=1S/C19H22N4/c1-22-9-11-23(12-10-22)18-8-7-17(14-20)19(13-18)21-15-16-5-3-2-4-6-16/h2-8,13,21H,9-12,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Binding affinity at 5HT2A receptor				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223277 (2-(benzylamino)-4-(4-methylpiperazin-1-yl)benzonit...) Show SMILES CN1CCN(CC1)c1ccc(C#N)c(NCc2ccccc2)c1 Show InChI InChI=1S/C19H22N4/c1-22-9-11-23(12-10-22)18-8-7-17(14-20)19(13-18)21-15-16-5-3-2-4-6-16/h2-8,13,21H,9-12,15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair