BDBM50058225 CHEMBL45244::N-((4-(2-cyanophenyl)piperazin-1-yl)methyl)-3-methylbenzamide::N-[4-(2-Cyano-phenyl)-piperazin-1-ylmethyl]-3-methyl-benzamide::PD-168077
SMILES: Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
InChI Key: InChIKey=DNULYRGWTFLJQL-UHFFFAOYSA-N
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)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL | Assay Description Displacement of [3H] Spiperone from human D4.4 receptor expressed in CHO cells by competitive radioligand binding assay | J Med Chem 62: 9658-9679 (2019) Article DOI: 10.1021/acs.jmedchem.9b01085 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 8.70 | 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(4) dopamine receptor (Homo sapiens (Human)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 8.71 | 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)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Binding affinity towards cloned human Dopamine receptor D4 | Bioorg Med Chem Lett 11: 223-6 (2001) BindingDB Entry DOI: 10.7270/Q2Z89CZK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 17.0 | 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(2) dopamine receptor (BOVINE) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity) | J Med Chem 46: 161-8 (2002) Article DOI: 10.1021/jm021019a BindingDB Entry DOI: 10.7270/Q2ZC83K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2A adrenergic receptor (Rattus norvegicus (rat)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 168 | 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 of the compound at alpha-1 adrenergic receptor | 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 | |||||||||||||
Adenosine receptor A2b (Rattus norvegicus) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 177 | 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 of the compound at Alpha-2 adrenergic receptor | 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 | |||||||||||||
5-hydroxytryptamine receptor 1A (5HT1A) (Mus musculus (Mouse)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 385 | 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 of the compound at 5-hydroxytryptamine 1A receptor | 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)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL | Assay Description Displacement of [3H] Spiperone from human D2S receptor expressed in CHO cells by competitive radioligand binding assay | J Med Chem 62: 9658-9679 (2019) Article DOI: 10.1021/acs.jmedchem.9b01085 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL | Assay Description Displacement of [3H] Spiperone from human D2L receptor expressed in CHO cells by competitive radioligand binding assay | J Med Chem 62: 9658-9679 (2019) Article DOI: 10.1021/acs.jmedchem.9b01085 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.81E+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)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.82E+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)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Binding affinity towards cloned human Dopamine receptor D2 | Bioorg Med Chem Lett 11: 223-6 (2001) BindingDB Entry DOI: 10.7270/Q2Z89CZK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.74E+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 | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.01E+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 of the compound at 5-hydroxytryptamine 2A receptor | 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)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL | Assay Description Displacement of [3H] Spiperone from human D3 receptor expressed in CHO cells by competitive radioligand binding assay | J Med Chem 62: 9658-9679 (2019) Article DOI: 10.1021/acs.jmedchem.9b01085 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (BOVINE) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (low-affinity) | J Med Chem 46: 161-8 (2002) Article DOI: 10.1021/jm021019a BindingDB Entry DOI: 10.7270/Q2ZC83K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DRD1 (BOVINE) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Affinity for Dopamine receptor D1 using [3H]SCH-23390 was carried out on bovine retinal membrane preparations | J Med Chem 46: 161-8 (2002) Article DOI: 10.1021/jm021019a BindingDB Entry DOI: 10.7270/Q2ZC83K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (BOVINE) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Affinity for Dopamine receptor D2 using [3H]-YM-09151-2 was carried out on bovine striatal membrane preparations | J Med Chem 46: 161-8 (2002) Article DOI: 10.1021/jm021019a BindingDB Entry DOI: 10.7270/Q2ZC83K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR | J Med Chem 49: 7450-65 (2006) Article DOI: 10.1021/jm060662k BindingDB Entry DOI: 10.7270/Q25X28MM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Activity at human recombinant D4.4 receptor expressed in HEK293 cells by FLIPR assay | J Med Chem 49: 5093-109 (2006) Article DOI: 10.1021/jm060279f BindingDB Entry DOI: 10.7270/Q2CJ8D4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Agonist activity at human recombinant D2 receptor expressed in HEK293 cells by FLIPR assay | J Med Chem 49: 5093-109 (2006) Article DOI: 10.1021/jm060279f BindingDB Entry DOI: 10.7270/Q2CJ8D4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Antagonist activity at human recombinant D2 receptor expressed in HEK293 cells by FLIPR assay | J Med Chem 49: 5093-109 (2006) Article DOI: 10.1021/jm060279f BindingDB Entry DOI: 10.7270/Q2CJ8D4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 17 | 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 |