BDBM50004308 1-Benzoylpiperazine::1-Benzyl-piperazine::1-Benzyl-piperazine, 10::1-benzylpiperazine::CHEMBL113600::US10166229, Example 00033

SMILES: C(N1CCNCC1)c1ccccc1

InChI Key: InChIKey=IQXXEPZFOOTTBA-UHFFFAOYSA-N

Data: 5 KI  2 EC50

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 7 hits for monomerid = 50004308   

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
Serotonin (5-HT) receptor (RAT)	BDBM50004308 (1-Benzoylpiperazine | 1-Benzyl-piperazine | 1-Benz...) Show SMILES C(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by PDSP Ki Database									Eur J Pharmacol 168: 387-92 (1989) Article DOI: 10.1016/0014-2999(89)90802-9 BindingDB Entry DOI: 10.7270/Q23R0RC5
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (RAT)	BDBM50004308 (1-Benzoylpiperazine | 1-Benzyl-piperazine | 1-Benz...) Show SMILES C(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by PDSP Ki Database									Eur J Pharmacol 168: 387-92 (1989) Article DOI: 10.1016/0014-2999(89)90802-9 BindingDB Entry DOI: 10.7270/Q23R0RC5
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50004308 (1-Benzoylpiperazine | 1-Benzyl-piperazine | 1-Benz...) Show SMILES C(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand				J Med Chem 35: 4903-10 (1993) BindingDB Entry DOI: 10.7270/Q26T0N86
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50004308 (1-Benzoylpiperazine | 1-Benzyl-piperazine | 1-Benz...) Show SMILES C(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1C receptor in rat using [3H]mesulergine as radioligand				J Med Chem 35: 4903-10 (1993) BindingDB Entry DOI: 10.7270/Q26T0N86
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50004308 (1-Benzoylpiperazine | 1-Benzyl-piperazine | 1-Benz...) Show SMILES C(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity of the compound towards sigma receptor in guinea pig brain membranes using [3H]-DTG as radioligand				J Med Chem 34: 3360-5 (1992) BindingDB Entry DOI: 10.7270/Q2MC8XZR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50004308 (1-Benzoylpiperazine | 1-Benzyl-piperazine | 1-Benz...) Show SMILES C(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	7.4	37
University of Illinois					Assay Description Procaspase-3 activation assay; activation of procaspase-3 to caspase-3.				Nat Chem Biol 2: 543-50 (2006) Article DOI: 10.1038/nchembio814 BindingDB Entry DOI: 10.7270/Q25M6426
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50004308 (1-Benzoylpiperazine | 1-Benzyl-piperazine | 1-Benz...) Show SMILES C(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Illinois US Patent					Assay Description Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an a...				US Patent US10166229 (2019) BindingDB Entry DOI: 10.7270/Q24M96M1
					More data for this Ligand-Target Pair