Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor' and Ligand = 'BDBM50505688'   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50505688 (CHEMBL4563944) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(22-23-8-3-2-4-9-23)25-14-12-24(29)13-15-25/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.550	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 D4.4 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(4) dopamine receptor (Homo sapiens (Human))	BDBM50505688 (CHEMBL4563944) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(22-23-8-3-2-4-9-23)25-14-12-24(29)13-15-25/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Antagonist activity at PKA-tagged D4 receptor (unknown origin) expressed in HEK293 cells co-expressing beta-arrestin2 assessed as inhibition of quinp...				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(4) dopamine receptor (Homo sapiens (Human))	BDBM50505688 (CHEMBL4563944) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(22-23-8-3-2-4-9-23)25-14-12-24(29)13-15-25/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human D4 receptor expressed in HEK293T cells co-expressing G-alphaqi assessed as accumulation of inositol monophosphate using d2-...				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(4) dopamine receptor (Homo sapiens (Human))	BDBM50505688 (CHEMBL4563944) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(22-23-8-3-2-4-9-23)25-14-12-24(29)13-15-25/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at PKA-tagged D4 receptor (unknown origin) expressed in HEK293 cells co-expressing beta-arrestin2 assessed as induction of beta-arre...				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