Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor/Metabotropic glutamate receptor 5'   

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/Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50463984 (CHEMBL4241844) Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C53H71N9O4S/c1-4-29-61(48-24-25-50-44(35-48)15-14-16-51(50)63)33-27-42-17-20-45(21-18-42)57-52(64)26-23-46-38-62(59-58-46)32-13-8-6-5-7-11-30-60(3)31-12-9-10-28-55-53(65)39-66-49-34-43(36-54-37-49)19-22-47-40-67-41(2)56-47/h14-18,20-21,34,36-38,40,48,63H,4-13,23-33,35,39H2,1-3H3,(H,55,65)(H,57,64)	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK p...				J Med Chem 61: 8212-8225 (2018) Article DOI: 10.1021/acs.jmedchem.8b00671 BindingDB Entry DOI: 10.7270/Q2X92DZC
					More data for this Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50463980 (CHEMBL4246881) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C49H65N9O5S/c1-39-52-42(38-64-39)20-18-40-30-44(33-50-32-40)62-37-49(59)51-22-12-9-14-24-55(2)23-13-7-5-6-8-15-25-58-35-43(53-54-58)36-63-47-21-19-41(31-48(47)61-4)34-56-26-28-57(29-27-56)45-16-10-11-17-46(45)60-3/h10-11,16-17,19,21,30-33,35,38H,5-9,12-15,22-29,34,36-37H2,1-4H3,(H,51,59)	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK p...				J Med Chem 61: 8212-8225 (2018) Article DOI: 10.1021/acs.jmedchem.8b00671 BindingDB Entry DOI: 10.7270/Q2X92DZC
					More data for this Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50463985 (CHEMBL4244406) Show SMILES CN(CCCCCCCCN=[N+]=[N-])CCCCCNC(=O)COc1cncc(c1)C#Cc1csc(C)n1 Show InChI InChI=1S/C27H39N7O2S/c1-23-32-25(22-37-23)13-12-24-18-26(20-29-19-24)36-21-27(35)30-14-8-7-11-17-34(2)16-10-6-4-3-5-9-15-31-33-28/h18-20,22H,3-11,14-17,21H2,1-2H3,(H,30,35)	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK p...				J Med Chem 61: 8212-8225 (2018) Article DOI: 10.1021/acs.jmedchem.8b00671 BindingDB Entry DOI: 10.7270/Q2X92DZC
					More data for this Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50463982 (CHEMBL4239987) Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C45H54N8O4S/c1-3-23-52(40-18-19-42-36(27-40)9-8-10-43(42)54)25-21-34-11-14-37(15-12-34)49-44(55)20-17-38-30-53(51-50-38)24-7-5-4-6-22-47-45(56)31-57-41-26-35(28-46-29-41)13-16-39-32-58-33(2)48-39/h8-12,14-15,26,28-30,32,40,54H,3-7,17-25,27,31H2,1-2H3,(H,47,56)(H,49,55)	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP a...				J Med Chem 61: 8212-8225 (2018) Article DOI: 10.1021/acs.jmedchem.8b00671 BindingDB Entry DOI: 10.7270/Q2X92DZC
					More data for this Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50463981 (CHEMBL4242192) Show SMILES CCCN(CCc1ccc(NC(=O)CCC#C)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C26H32N2O2/c1-3-5-9-26(30)27-22-12-10-20(11-13-22)16-18-28(17-4-2)23-14-15-24-21(19-23)7-6-8-25(24)29/h1,6-8,10-13,23,29H,4-5,9,14-19H2,2H3,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP a...				J Med Chem 61: 8212-8225 (2018) Article DOI: 10.1021/acs.jmedchem.8b00671 BindingDB Entry DOI: 10.7270/Q2X92DZC
					More data for this Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50463986 (CHEMBL4246185) Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C55H75N9O4S/c1-4-31-63(50-26-27-52-46(37-50)17-16-18-53(52)65)35-29-44-19-22-47(23-20-44)59-54(66)28-25-48-40-64(61-60-48)34-15-10-8-6-5-7-9-13-32-62(3)33-14-11-12-30-57-55(67)41-68-51-36-45(38-56-39-51)21-24-49-42-69-43(2)58-49/h16-20,22-23,36,38-40,42,50,65H,4-15,25-35,37,41H2,1-3H3,(H,57,67)(H,59,66)	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP a...				J Med Chem 61: 8212-8225 (2018) Article DOI: 10.1021/acs.jmedchem.8b00671 BindingDB Entry DOI: 10.7270/Q2X92DZC
					More data for this Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50018958 (CHEBI:75401 | QUINPIROLE) Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2 Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP a...				J Med Chem 61: 8212-8225 (2018) Article DOI: 10.1021/acs.jmedchem.8b00671 BindingDB Entry DOI: 10.7270/Q2X92DZC
					More data for this Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50463984 (CHEMBL4241844) Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C53H71N9O4S/c1-4-29-61(48-24-25-50-44(35-48)15-14-16-51(50)63)33-27-42-17-20-45(21-18-42)57-52(64)26-23-46-38-62(59-58-46)32-13-8-6-5-7-11-30-60(3)31-12-9-10-28-55-53(65)39-66-49-34-43(36-54-37-49)19-22-47-40-67-41(2)56-47/h14-18,20-21,34,36-38,40,48,63H,4-13,23-33,35,39H2,1-3H3,(H,55,65)(H,57,64)	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP a...				J Med Chem 61: 8212-8225 (2018) Article DOI: 10.1021/acs.jmedchem.8b00671 BindingDB Entry DOI: 10.7270/Q2X92DZC
					More data for this Ligand-Target Pair