Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50380565'   

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))	BDBM50380565 (CHEMBL2016628) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:50| Show InChI InChI=1S/C50H62Cl2N10O2/c51-37-19-21-43-45(35-37)57-49(39-13-7-9-15-41(39)55-43)61-31-27-59(28-32-61)25-11-23-53-47(63)17-5-3-1-2-4-6-18-48(64)54-24-12-26-60-29-33-62(34-30-60)50-40-14-8-10-16-42(40)56-44-22-20-38(52)36-46(44)58-50/h7-10,13-16,19-22,35-36,55-56H,1-6,11-12,17-18,23-34H2,(H,53,63)(H,54,64)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380565 (CHEMBL2016628) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:50| Show InChI InChI=1S/C50H62Cl2N10O2/c51-37-19-21-43-45(35-37)57-49(39-13-7-9-15-41(39)55-43)61-31-27-59(28-32-61)25-11-23-53-47(63)17-5-3-1-2-4-6-18-48(64)54-24-12-26-60-29-33-62(34-30-60)50-40-14-8-10-16-42(40)56-44-22-20-38(52)36-46(44)58-50/h7-10,13-16,19-22,35-36,55-56H,1-6,11-12,17-18,23-34H2,(H,53,63)(H,54,64)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380565 (CHEMBL2016628) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:50| Show InChI InChI=1S/C50H62Cl2N10O2/c51-37-19-21-43-45(35-37)57-49(39-13-7-9-15-41(39)55-43)61-31-27-59(28-32-61)25-11-23-53-47(63)17-5-3-1-2-4-6-18-48(64)54-24-12-26-60-29-33-62(34-30-60)50-40-14-8-10-16-42(40)56-44-22-20-38(52)36-46(44)58-50/h7-10,13-16,19-22,35-36,55-56H,1-6,11-12,17-18,23-34H2,(H,53,63)(H,54,64)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380565 (CHEMBL2016628) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:50| Show InChI InChI=1S/C50H62Cl2N10O2/c51-37-19-21-43-45(35-37)57-49(39-13-7-9-15-41(39)55-43)61-31-27-59(28-32-61)25-11-23-53-47(63)17-5-3-1-2-4-6-18-48(64)54-24-12-26-60-29-33-62(34-30-60)50-40-14-8-10-16-42(40)56-44-22-20-38(52)36-46(44)58-50/h7-10,13-16,19-22,35-36,55-56H,1-6,11-12,17-18,23-34H2,(H,53,63)(H,54,64)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44.7	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair