BDBM50058233 4-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethyl]-benzamide::CHEMBL49876

SMILES: Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N

InChI Key: InChIKey=XISJOANVKUVBAU-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 = 50058233   

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))	BDBM50058233 (4-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethy...) Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C19H19ClN4O/c20-17-7-5-15(6-8-17)19(25)22-14-23-9-11-24(12-10-23)18-4-2-1-3-16(18)13-21/h1-8H,9-12,14H2,(H,22,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.89	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))	BDBM50058233 (4-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethy...) Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C19H19ClN4O/c20-17-7-5-15(6-8-17)19(25)22-14-23-9-11-24(12-10-23)18-4-2-1-3-16(18)13-21/h1-8H,9-12,14H2,(H,22,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	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))	BDBM50058233 (4-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethy...) Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C19H19ClN4O/c20-17-7-5-15(6-8-17)19(25)22-14-23-9-11-24(12-10-23)18-4-2-1-3-16(18)13-21/h1-8H,9-12,14H2,(H,22,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	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))	BDBM50058233 (4-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethy...) Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C19H19ClN4O/c20-17-7-5-15(6-8-17)19(25)22-14-23-9-11-24(12-10-23)18-4-2-1-3-16(18)13-21/h1-8H,9-12,14H2,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	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))	BDBM50058233 (4-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethy...) Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C19H19ClN4O/c20-17-7-5-15(6-8-17)19(25)22-14-23-9-11-24(12-10-23)18-4-2-1-3-16(18)13-21/h1-8H,9-12,14H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	603	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))	BDBM50058233 (4-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethy...) Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C19H19ClN4O/c20-17-7-5-15(6-8-17)19(25)22-14-23-9-11-24(12-10-23)18-4-2-1-3-16(18)13-21/h1-8H,9-12,14H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	929	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))	BDBM50058233 (4-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethy...) Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C19H19ClN4O/c20-17-7-5-15(6-8-17)19(25)22-14-23-9-11-24(12-10-23)18-4-2-1-3-16(18)13-21/h1-8H,9-12,14H2,(H,22,25)	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	>3.90	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