BDBM50105110 4-(3-Phenyl-propyl)-piperazine-1-carboxylic acid 2-(4-cyano-phenyl)-ethyl ester::CHEMBL325258

SMILES: O=C(OCCc1ccc(cc1)C#N)N1CCN(CCCc2ccccc2)CC1

InChI Key: InChIKey=UQMFUNLNAONENR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50105110   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50105110 (4-(3-Phenyl-propyl)-piperazine-1-carboxylic acid 2...) Show SMILES O=C(OCCc1ccc(cc1)C#N)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C23H27N3O2/c24-19-22-10-8-21(9-11-22)12-18-28-23(27)26-16-14-25(15-17-26)13-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of histamine H1 receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50105110 (4-(3-Phenyl-propyl)-piperazine-1-carboxylic acid 2...) Show SMILES O=C(OCCc1ccc(cc1)C#N)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C23H27N3O2/c24-19-22-10-8-21(9-11-22)12-18-28-23(27)26-16-14-25(15-17-26)13-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human dopamine receptor D4.4				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50105110 (4-(3-Phenyl-propyl)-piperazine-1-carboxylic acid 2...) Show SMILES O=C(OCCc1ccc(cc1)C#N)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C23H27N3O2/c24-19-22-10-8-21(9-11-22)12-18-28-23(27)26-16-14-25(15-17-26)13-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	854	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human 5-hydroxytryptamine 2A receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50105110 (4-(3-Phenyl-propyl)-piperazine-1-carboxylic acid 2...) Show SMILES O=C(OCCc1ccc(cc1)C#N)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C23H27N3O2/c24-19-22-10-8-21(9-11-22)12-18-28-23(27)26-16-14-25(15-17-26)13-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human 5-hydroxytryptamine 1A receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105110 (4-(3-Phenyl-propyl)-piperazine-1-carboxylic acid 2...) Show SMILES O=C(OCCc1ccc(cc1)C#N)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C23H27N3O2/c24-19-22-10-8-21(9-11-22)12-18-28-23(27)26-16-14-25(15-17-26)13-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair