Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50123626'   

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 (Homo sapiens (Human))	BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cells was measured by its ability to displace [3H]- N-0437				J Med Chem 45: 3022-31 (2002) BindingDB Entry DOI: 10.7270/Q2QC047Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (BOVINE)	BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Binding affinity of compound for Dopamine receptor D2 using [3H]-N-0437				J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D2L of CHO K-1 cells.				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.40	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 and GRK2 assessed as induction of beta-arrestin2 r...				J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins				Bioorg Med Chem 22: 381-92 (2013) Article DOI: 10.1016/j.bmc.2013.11.012 BindingDB Entry DOI: 10.7270/Q26T0P3C
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Agonist activity at human D2S receptor expressed in HEK293T cell membranes coexpressing Galphao1 assessed as induction of nucleotide exchange preincu...				J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.10	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 assessed as induction of beta-arrestin2 recruitmen...				J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH
					More data for this Ligand-Target Pair				3D Structure (crystal)