Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50530568'   

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))	BDBM50530568 (CHEMBL4534566 | US11337971, Compound C4a) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding at dopamine D2-like receptors was determined using previously described methods. Membranes were prepared from HEK293 cells expressing human D...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DF6VDT
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566 | US11337971, Compound C4a) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566 | US11337971, Compound C4a) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding at dopamine D2-like receptors was determined using previously described methods. Membranes were prepared from HEK293 cells expressing human D...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DF6VDT
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566 | US11337971, Compound C4a) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566 | US11337971, Compound C4a) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in CHO cells assessed as inhibition of quinpirole-induced mitogenesis				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566 | US11337971, Compound C4a) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in CHO cells assessed as inhibition of quinpirole-induced mitogenesis				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566 | US11337971, Compound C4a) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.40E+3	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Agonist activity at human D3 receptor expressed in CHO cells assessed as stimulation of quinpirole-induced mitogenesis				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566 | US11337971, Compound C4a) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.40E+3	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Agonist activity at human D3 receptor expressed in CHO cells assessed as stimulation of quinpirole-induced mitogenesis				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607 BindingDB Entry DOI: 10.7270/Q2TF01S8
					More data for this Ligand-Target Pair