null

SMILES: COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1

InChI Key: InChIKey=XYQZBAPGVRTOEI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50463990   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50463990 (CHEMBL4241776) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C52H70N8O5S/c1-42-54-45(41-66-42)25-23-43-19-18-20-47(35-43)64-40-52(61)53-27-14-11-16-29-57(2)28-15-9-7-5-6-8-10-17-30-60-38-46(55-56-60)39-65-50-26-24-44(36-51(50)63-4)37-58-31-33-59(34-32-58)48-21-12-13-22-49(48)62-3/h12-13,18-22,24,26,35-36,38,41H,5-11,14-17,27-34,37,39-40H2,1-4H3,(H,53,61)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...				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 (Homo sapiens (Human))	BDBM50463990 (CHEMBL4241776) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C52H70N8O5S/c1-42-54-45(41-66-42)25-23-43-19-18-20-47(35-43)64-40-52(61)53-27-14-11-16-29-57(2)28-15-9-7-5-6-8-10-17-30-60-38-46(55-56-60)39-65-50-26-24-44(36-51(50)63-4)37-58-31-33-59(34-32-58)48-21-12-13-22-49(48)62-3/h12-13,18-22,24,26,35-36,38,41H,5-11,14-17,27-34,37,39-40H2,1-4H3,(H,53,61)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...				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
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50463990 (CHEMBL4241776) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C52H70N8O5S/c1-42-54-45(41-66-42)25-23-43-19-18-20-47(35-43)64-40-52(61)53-27-14-11-16-29-57(2)28-15-9-7-5-6-8-10-17-30-60-38-46(55-56-60)39-65-50-26-24-44(36-51(50)63-4)37-58-31-33-59(34-32-58)48-21-12-13-22-49(48)62-3/h12-13,18-22,24,26,35-36,38,41H,5-11,14-17,27-34,37,39-40H2,1-4H3,(H,53,61)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Antagonist activity at mGluR5 (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK phosphorylation preincubated f...				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