BDBM50058221 CHEMBL423659::N-[4-(2-Cyano-phenyl)-piperazin-1-ylmethyl]-benzamide

SMILES: O=C(NCN1CCN(CC1)c1ccccc1C#N)c1ccccc1

InChI Key: InChIKey=YVWOLSSJSAUBFF-UHFFFAOYSA-N

Data: 6 KI  1 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 = 50058221   

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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058221 (CHEMBL423659 | N-[4-(2-Cyano-phenyl)-piperazin-1-y...) Show SMILES O=C(NCN1CCN(CC1)c1ccccc1C#N)c1ccccc1 Show InChI InChI=1S/C19H20N4O/c20-14-17-8-4-5-9-18(17)23-12-10-22(11-13-23)15-21-19(24)16-6-2-1-3-7-16/h1-9H,10-13,15H2,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058221 (CHEMBL423659 | N-[4-(2-Cyano-phenyl)-piperazin-1-y...) Show SMILES O=C(NCN1CCN(CC1)c1ccccc1C#N)c1ccccc1 Show InChI InChI=1S/C19H20N4O/c20-14-17-8-4-5-9-18(17)23-12-10-22(11-13-23)15-21-19(24)16-6-2-1-3-7-16/h1-9H,10-13,15H2,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity of compound towards human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058221 (CHEMBL423659 | N-[4-(2-Cyano-phenyl)-piperazin-1-y...) Show SMILES O=C(NCN1CCN(CC1)c1ccccc1C#N)c1ccccc1 Show InChI InChI=1S/C19H20N4O/c20-14-17-8-4-5-9-18(17)23-12-10-22(11-13-23)15-21-19(24)16-6-2-1-3-7-16/h1-9H,10-13,15H2,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand				J Med Chem 40: 1771-2 (1997) Article DOI: 10.1021/jm970021c BindingDB Entry DOI: 10.7270/Q2DB80XX
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50058221 (CHEMBL423659 | N-[4-(2-Cyano-phenyl)-piperazin-1-y...) Show SMILES O=C(NCN1CCN(CC1)c1ccccc1C#N)c1ccccc1 Show InChI InChI=1S/C19H20N4O/c20-14-17-8-4-5-9-18(17)23-12-10-22(11-13-23)15-21-19(24)16-6-2-1-3-7-16/h1-9H,10-13,15H2,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity for human Dopamine receptor D3 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand				J Med Chem 40: 1771-2 (1997) Article DOI: 10.1021/jm970021c BindingDB Entry DOI: 10.7270/Q2DB80XX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50058221 (CHEMBL423659 | N-[4-(2-Cyano-phenyl)-piperazin-1-y...) Show SMILES O=C(NCN1CCN(CC1)c1ccccc1C#N)c1ccccc1 Show InChI InChI=1S/C19H20N4O/c20-14-17-8-4-5-9-18(17)23-12-10-22(11-13-23)15-21-19(24)16-6-2-1-3-7-16/h1-9H,10-13,15H2,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D2 was determined by using [3H]spiperone as radioligand				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50058221 (CHEMBL423659 | N-[4-(2-Cyano-phenyl)-piperazin-1-y...) Show SMILES O=C(NCN1CCN(CC1)c1ccccc1C#N)c1ccccc1 Show InChI InChI=1S/C19H20N4O/c20-14-17-8-4-5-9-18(17)23-12-10-22(11-13-23)15-21-19(24)16-6-2-1-3-7-16/h1-9H,10-13,15H2,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity for human Dopamine receptor D2 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand				J Med Chem 40: 1771-2 (1997) Article DOI: 10.1021/jm970021c BindingDB Entry DOI: 10.7270/Q2DB80XX
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058221 (CHEMBL423659 | N-[4-(2-Cyano-phenyl)-piperazin-1-y...) Show SMILES O=C(NCN1CCN(CC1)c1ccccc1C#N)c1ccccc1 Show InChI InChI=1S/C19H20N4O/c20-14-17-8-4-5-9-18(17)23-12-10-22(11-13-23)15-21-19(24)16-6-2-1-3-7-16/h1-9H,10-13,15H2,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Agonist activation of human dopamine receptor stimulating mitogenesis in Dopamine receptor D4-transfected CHO pro-5 cells using [3H]-thymidine as rad...				J Med Chem 40: 1771-2 (1997) Article DOI: 10.1021/jm970021c BindingDB Entry DOI: 10.7270/Q2DB80XX
					More data for this Ligand-Target Pair