Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50119386'   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting				Bioorg Med Chem 17: 758-66 (2009) Article DOI: 10.1016/j.bmc.2008.11.044 BindingDB Entry DOI: 10.7270/Q2WH2PV3
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.				J Med Chem 45: 4594-7 (2002) BindingDB Entry DOI: 10.7270/Q2DR2W7K
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 53: 7219-28 (2010) Article DOI: 10.1021/jm100899z BindingDB Entry DOI: 10.7270/Q27W6CDZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as inhibition of quinpirole-stimulated mitogenesis				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.360	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Intrinsic activity in mitogenesis assay using Dopamine receptor D3 expressing CHO cells				J Med Chem 45: 4594-7 (2002) BindingDB Entry DOI: 10.7270/Q2DR2W7K
					More data for this Ligand-Target Pair