Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50058225'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(2) dopamine receptor (BOVINE)	BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 BindingDB Entry DOI: 10.7270/Q2GB27BJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 BindingDB Entry DOI: 10.7270/Q2GB27BJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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)...) Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 (BOVINE)	BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
D(2) dopamine receptor (BOVINE)	BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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(2) dopamine receptor (Homo sapiens (Human))	BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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(2) dopamine receptor (Homo sapiens (Human))	BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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