BDBM50088839 CHEMBL169702::N-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzyl}-acetamide

SMILES: CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1

InChI Key: InChIKey=DLRMISVWHXXKOL-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50088839   

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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088839 (CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...) Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human trypsin.				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088839 (CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...) Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50088839 (CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...) Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of GC1 extended spectrum class C beta-lactamase				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50088839 (CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...) Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair