null

SMILES: CN[C@@H]1Cc2cccc3n(CCOCCOCCCCc4ccccc4)c(=O)n(C1)c23

InChI Key: InChIKey=FEPLZHWENCAUEC-JOCHJYFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50237345   

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))	BDBM50237345 (CHEMBL4100322) Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r| Show InChI InChI=1S/C25H33N3O3/c1-26-22-18-21-11-7-12-23-24(21)28(19-22)25(29)27(23)13-15-31-17-16-30-14-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,22,26H,5-6,10,13-19H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...				J Med Chem 60: 2890-2907 (2017) Article DOI: 10.1021/acs.jmedchem.6b01875 BindingDB Entry DOI: 10.7270/Q28P62SD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50237345 (CHEMBL4100322) Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r| Show InChI InChI=1S/C25H33N3O3/c1-26-22-18-21-11-7-12-23-24(21)28(19-22)25(29)27(23)13-15-31-17-16-30-14-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,22,26H,5-6,10,13-19H2,1H3/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...				J Med Chem 60: 2890-2907 (2017) Article DOI: 10.1021/acs.jmedchem.6b01875 BindingDB Entry DOI: 10.7270/Q28P62SD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237345 (CHEMBL4100322) Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r| Show InChI InChI=1S/C25H33N3O3/c1-26-22-18-21-11-7-12-23-24(21)28(19-22)25(29)27(23)13-15-31-17-16-30-14-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,22,26H,5-6,10,13-19H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibitory constant against trypsin determined in Vitro				J Med Chem 60: 2890-2907 (2017) Article DOI: 10.1021/acs.jmedchem.6b01875 BindingDB Entry DOI: 10.7270/Q28P62SD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237345 (CHEMBL4100322) Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r| Show InChI InChI=1S/C25H33N3O3/c1-26-22-18-21-11-7-12-23-24(21)28(19-22)25(29)27(23)13-15-31-17-16-30-14-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,22,26H,5-6,10,13-19H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	351	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibitory constant against trypsin determined in Vitro				J Med Chem 60: 2890-2907 (2017) Article DOI: 10.1021/acs.jmedchem.6b01875 BindingDB Entry DOI: 10.7270/Q28P62SD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237345 (CHEMBL4100322) Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r| Show InChI InChI=1S/C25H33N3O3/c1-26-22-18-21-11-7-12-23-24(21)28(19-22)25(29)27(23)13-15-31-17-16-30-14-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,22,26H,5-6,10,13-19H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D2 receptor expressed in HEK293 cells coexpressing renilla luciferase-fused GalphaoA/GFP10-fused Ggamma2 assess...				J Med Chem 60: 2890-2907 (2017) Article DOI: 10.1021/acs.jmedchem.6b01875 BindingDB Entry DOI: 10.7270/Q28P62SD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237345 (CHEMBL4100322) Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r| Show InChI InChI=1S/C25H33N3O3/c1-26-22-18-21-11-7-12-23-24(21)28(19-22)25(29)27(23)13-15-31-17-16-30-14-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,22,26H,5-6,10,13-19H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D2 receptor expressed in HEK293 cells assessed as reduction in quinpirole-mediated cAMP inhibition preincubated...				J Med Chem 60: 2890-2907 (2017) Article DOI: 10.1021/acs.jmedchem.6b01875 BindingDB Entry DOI: 10.7270/Q28P62SD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237345 (CHEMBL4100322) Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r| Show InChI InChI=1S/C25H33N3O3/c1-26-22-18-21-11-7-12-23-24(21)28(19-22)25(29)27(23)13-15-31-17-16-30-14-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,22,26H,5-6,10,13-19H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Antagonist activity at renilla luciferase-tagged human dopamine D2 receptor expressed in HEK293 cells coexpressing mVenus-fused beta-arrestin 2 asses...				J Med Chem 60: 2890-2907 (2017) Article DOI: 10.1021/acs.jmedchem.6b01875 BindingDB Entry DOI: 10.7270/Q28P62SD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237345 (CHEMBL4100322) Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r| Show InChI InChI=1S/C25H33N3O3/c1-26-22-18-21-11-7-12-23-24(21)28(19-22)25(29)27(23)13-15-31-17-16-30-14-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,22,26H,5-6,10,13-19H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D2 receptor expressed in forskolin stimulated-HEK293 cells coexpressing renilla luciferase-fused Galphai1/GFP10...				J Med Chem 60: 2890-2907 (2017) Article DOI: 10.1021/acs.jmedchem.6b01875 BindingDB Entry DOI: 10.7270/Q28P62SD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237345 (CHEMBL4100322) Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r| Show InChI InChI=1S/C25H33N3O3/c1-26-22-18-21-11-7-12-23-24(21)28(19-22)25(29)27(23)13-15-31-17-16-30-14-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,22,26H,5-6,10,13-19H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned dopamine receptor D4 stably expressed in CHO cells by [3H]spiperone displacement.				J Med Chem 60: 2890-2907 (2017) Article DOI: 10.1021/acs.jmedchem.6b01875 BindingDB Entry DOI: 10.7270/Q28P62SD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237345 (CHEMBL4100322) Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r| Show InChI InChI=1S/C25H33N3O3/c1-26-22-18-21-11-7-12-23-24(21)28(19-22)25(29)27(23)13-15-31-17-16-30-14-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,22,26H,5-6,10,13-19H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2 receptor expressed in HEK293 cells assessed as cAMP inhibition by BRET assay				J Med Chem 60: 2890-2907 (2017) Article DOI: 10.1021/acs.jmedchem.6b01875 BindingDB Entry DOI: 10.7270/Q28P62SD
					More data for this Ligand-Target Pair