Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50048263   

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 (Homo sapiens (Human))	BDBM50210754 (CHEMBL3982215) Show SMILES [H][C@@]12Cc3ccc(O)c(OCCOC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C21H25NO5/c1-25-7-8-27-21-16-12-22-6-5-14-10-20(26-2)19(24)11-15(14)17(22)9-13(16)3-4-18(21)23/h3-4,10-11,17,23-24H,5-9,12H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho...				Eur J Med Chem 125: 255-268 (2017) Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50210758 (CHEMBL3945856) Show SMILES [H][C@@]12Cc3ccc(O)c(OCCCCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C23H29NO4/c1-3-4-5-10-28-23-18-14-24-9-8-16-12-22(27-2)21(26)13-17(16)19(24)11-15(18)6-7-20(23)25/h6-7,12-13,19,25-26H,3-5,8-11,14H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho...				Eur J Med Chem 125: 255-268 (2017) Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50210762 (CHEMBL3954556) Show SMILES [H][C@@]12Cc3ccc(O)c(OCCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C21H25NO4/c1-3-8-26-21-16-12-22-7-6-14-10-20(25-2)19(24)11-15(14)17(22)9-13(16)4-5-18(21)23/h4-5,10-11,17,23-24H,3,6-9,12H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho...				Eur J Med Chem 125: 255-268 (2017) Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50210764 (CHEMBL3976659) Show SMILES [H][C@@]12Cc3c(Br)cc(O)c(OCCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C21H24BrNO4/c1-3-6-27-21-15-11-23-5-4-12-7-20(26-2)18(24)9-13(12)17(23)8-14(15)16(22)10-19(21)25/h7,9-10,17,24-25H,3-6,8,11H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho...				Eur J Med Chem 125: 255-268 (2017) Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50210766 (CHEMBL3936976) Show SMILES [H][C@@]12Cc3ccc(O)c(OC(C)CC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C22H27NO4/c1-4-13(2)27-22-17-12-23-8-7-15-10-21(26-3)20(25)11-16(15)18(23)9-14(17)5-6-19(22)24/h5-6,10-11,13,18,24-25H,4,7-9,12H2,1-3H3/t13?,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho...				Eur J Med Chem 125: 255-268 (2017) Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50210759 (CHEMBL3905947) Show SMILES [H][C@@]12Cc3c(Br)cc(O)c(OCCCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C22H26BrNO4/c1-3-4-7-28-22-16-12-24-6-5-13-8-21(27-2)19(25)10-14(13)18(24)9-15(16)17(23)11-20(22)26/h8,10-11,18,25-26H,3-7,9,12H2,1-2H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho...				Eur J Med Chem 125: 255-268 (2017) Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50210763 (CHEMBL3894329) Show SMILES [H][C@@]12Cc3c(Br)cc(O)c(OC(C)CC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C22H26BrNO4/c1-4-12(2)28-22-16-11-24-6-5-13-7-21(27-3)19(25)9-14(13)18(24)8-15(16)17(23)10-20(22)26/h7,9-10,12,18,25-26H,4-6,8,11H2,1-3H3/t12?,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho...				Eur J Med Chem 125: 255-268 (2017) Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50210765 (CHEMBL3964242) Show SMILES [H][C@@]12Cc3c(Br)cc(O)c(OCCCCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C23H28BrNO4/c1-3-4-5-8-29-23-17-13-25-7-6-14-9-22(28-2)20(26)11-15(14)19(25)10-16(17)18(24)12-21(23)27/h9,11-12,19,26-27H,3-8,10,13H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho...				Eur J Med Chem 125: 255-268 (2017) Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50210755 (CHEMBL3963862) Show SMILES [H][C@@]12Cc3c(Br)cc(O)c(OCCCCCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C24H30BrNO4/c1-3-4-5-6-9-30-24-18-14-26-8-7-15-10-23(29-2)21(27)12-16(15)20(26)11-17(18)19(25)13-22(24)28/h10,12-13,20,27-28H,3-9,11,14H2,1-2H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	731	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho...				Eur J Med Chem 125: 255-268 (2017) Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50378584 (STEPHOLIDINE) Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r| Show InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	974	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho...				Eur J Med Chem 125: 255-268 (2017) Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T
					More data for this Ligand-Target Pair