Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50010137   

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(1B) dopamine receptor (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at D5R (unknown origin) 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 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50535447 (CHEMBL4453318) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(48.67,-21.36,;48.68,-22.9,;47.35,-23.68,;47.35,-25.22,;46.01,-25.99,;46.01,-27.53,;47.34,-28.29,;47.35,-29.83,;46.01,-30.61,;44.67,-29.83,;43.21,-30.31,;42.3,-29.07,;43.2,-27.83,;44.67,-28.3,;48.68,-25.99,;50.02,-25.22,;50.01,-23.67,;51.34,-22.89,;51.33,-21.36,;49.99,-20.59,;52.67,-20.58,;52.67,-19.04,;54,-21.35,;54,-22.89,;55.33,-23.66,;52.67,-23.66,;52.68,-25.2,)| Show InChI InChI=1S/C20H17N3O4/c1-11-10-13(27-19-15-7-9-26-16(15)6-8-21-19)4-5-14(11)17-12(2)18(24)22-20(25)23(17)3/h4-10H,1-3H3,(H,22,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.40	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at D5R (unknown origin) 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 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at D5R (unknown origin) 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 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM160875 (US10093655, Example 45 | US11014909, Example 45 | ...) Show SMILES Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(.67,3.47,;.67,1.93,;-.67,1.15,;-.67,-.38,;-2,-1.15,;-2,-2.69,;-.67,-3.47,;-.67,-5,;-2,-5.78,;-3.33,-5,;-3.33,-3.47,;-4.67,-2.69,;-6,-3.47,;-7.34,-2.69,;-6,-5,;.67,-1.15,;2,-.38,;2,1.15,;3.33,1.93,;3.33,3.47,;2,4.23,;4.67,4.23,;4.67,5.78,;6,3.47,;6,1.93,;7.34,1.15,;4.67,1.15,;4.67,-.38,)| Show InChI InChI=1S/C19H17F2N3O4/c1-10-9-12(27-17-14(28-18(20)21)5-4-8-22-17)6-7-13(10)15-11(2)16(25)23-19(26)24(15)3/h4-9,18H,1-3H3,(H,23,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at D5R (unknown origin) 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 BindingDB Entry DOI: 10.7270/Q26W9FKV
					More data for this Ligand-Target Pair