Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50469504'   

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 (Rattus norvegicus (Rat))	BDBM50469504 (CHEMBL4293999) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1 Show InChI InChI=1S/C28H30FN3O3/c29-22-5-6-23-25(17-22)35-30-27(23)18-8-12-31(13-9-18)11-2-1-3-24(33)21-15-19-4-7-26(34)32-14-10-20(16-21)28(19)32/h5-6,15-18H,1-4,7-14H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H] 7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle homogenates after 60 mins by liquid scintillation counting				J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50469504 (CHEMBL4293999) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1 Show InChI InChI=1S/C28H30FN3O3/c29-22-5-6-23-25(17-22)35-30-27(23)18-8-12-31(13-9-18)11-2-1-3-24(33)21-15-19-4-7-26(34)32-14-10-20(16-21)28(19)32/h5-6,15-18H,1-4,7-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to D3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112709 BindingDB Entry DOI: 10.7270/Q2XK8K6M
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50469504 (CHEMBL4293999) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1 Show InChI InChI=1S/C28H30FN3O3/c29-22-5-6-23-25(17-22)35-30-27(23)18-8-12-31(13-9-18)11-2-1-3-24(33)21-15-19-4-7-26(34)32-14-10-20(16-21)28(19)32/h5-6,15-18H,1-4,7-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at dopamine D3 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of dopamine-induced calcium flux after ...				J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7
					More data for this Ligand-Target Pair