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SMILES: Cc1cnnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C

InChI Key: InChIKey=WTTAMIBXPRNVCC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50523450   

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(1A) dopamine receptor (Homo sapiens (Human))	BDBM50523450 (CHEMBL4437012) Show SMILES Cc1cnnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C |(41.44,-20.14,;42.78,-20.9,;44.1,-20.13,;45.45,-20.89,;45.45,-22.43,;44.12,-23.21,;44.13,-24.75,;42.79,-22.44,;41.46,-23.21,;41.47,-24.75,;40.13,-25.53,;38.81,-24.75,;37.47,-25.53,;37.48,-27.07,;38.81,-27.83,;38.82,-29.38,;37.48,-30.15,;36.15,-29.38,;34.67,-29.86,;33.77,-28.6,;34.68,-27.35,;36.15,-27.83,;38.79,-23.22,;40.12,-22.45,;40.11,-20.91,)| Show InChI InChI=1S/C20H17N3O2/c1-12-10-15(25-20-17-7-9-24-18(17)6-8-21-20)4-5-16(12)19-13(2)11-22-23-14(19)3/h4-11H,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on beta-arrestin2 recruitment by PRESTO-Tango beta-arrestin2 rec...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50523450 (CHEMBL4437012) Show SMILES Cc1cnnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C |(41.44,-20.14,;42.78,-20.9,;44.1,-20.13,;45.45,-20.89,;45.45,-22.43,;44.12,-23.21,;44.13,-24.75,;42.79,-22.44,;41.46,-23.21,;41.47,-24.75,;40.13,-25.53,;38.81,-24.75,;37.47,-25.53,;37.48,-27.07,;38.81,-27.83,;38.82,-29.38,;37.48,-30.15,;36.15,-29.38,;34.67,-29.86,;33.77,-28.6,;34.68,-27.35,;36.15,-27.83,;38.79,-23.22,;40.12,-22.45,;40.11,-20.91,)| Show InChI InChI=1S/C20H17N3O2/c1-12-10-15(25-20-17-7-9-24-18(17)6-8-21-20)4-5-16(12)19-13(2)11-22-23-14(19)3/h4-11H,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Agonist activity at recombinant human D1 receptor expressed in HEK29T cells assessed as induction of stimulatory G-protein-mediated cAMP accumulation...				J Med Chem 62: 3753-3772 (2019) Article DOI: 10.1021/acs.jmedchem.9b00351
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50523450 (CHEMBL4437012) Show SMILES Cc1cnnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C |(41.44,-20.14,;42.78,-20.9,;44.1,-20.13,;45.45,-20.89,;45.45,-22.43,;44.12,-23.21,;44.13,-24.75,;42.79,-22.44,;41.46,-23.21,;41.47,-24.75,;40.13,-25.53,;38.81,-24.75,;37.47,-25.53,;37.48,-27.07,;38.81,-27.83,;38.82,-29.38,;37.48,-30.15,;36.15,-29.38,;34.67,-29.86,;33.77,-28.6,;34.68,-27.35,;36.15,-27.83,;38.79,-23.22,;40.12,-22.45,;40.11,-20.91,)| Show InChI InChI=1S/C20H17N3O2/c1-12-10-15(25-20-17-7-9-24-18(17)6-8-21-20)4-5-16(12)19-13(2)11-22-23-14(19)3/h4-11H,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Agonist activity at recombinant human D1 receptor expressed in HEK29T cells assessed as induction of stimulatory G-protein-mediated cAMP accumulation...				J Med Chem 62: 3753-3772 (2019) Article DOI: 10.1021/acs.jmedchem.9b00351
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50523450 (CHEMBL4437012) Show SMILES Cc1cnnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C |(41.44,-20.14,;42.78,-20.9,;44.1,-20.13,;45.45,-20.89,;45.45,-22.43,;44.12,-23.21,;44.13,-24.75,;42.79,-22.44,;41.46,-23.21,;41.47,-24.75,;40.13,-25.53,;38.81,-24.75,;37.47,-25.53,;37.48,-27.07,;38.81,-27.83,;38.82,-29.38,;37.48,-30.15,;36.15,-29.38,;34.67,-29.86,;33.77,-28.6,;34.68,-27.35,;36.15,-27.83,;38.79,-23.22,;40.12,-22.45,;40.11,-20.91,)| Show InChI InChI=1S/C20H17N3O2/c1-12-10-15(25-20-17-7-9-24-18(17)6-8-21-20)4-5-16(12)19-13(2)11-22-23-14(19)3/h4-11H,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	81	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050
					More data for this Ligand-Target Pair