Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7518   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM86180 (CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM199159 (Hexahydrobenzo[4,5]azepino[2,1-a]isoquinoline, 16) Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)CCc2c1OC Show InChI InChI=1S/C21H23NO4/c1-23-18-4-3-13-9-17-16-11-20-19(25-12-26-20)10-14(16)5-7-22(17)8-6-15(13)21(18)24-2/h3-4,10-11,17H,5-9,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM199155 (3,11,12-trimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4...) Show SMILES COc1cc2CCN3CCc4cc(OC)c(OC)cc4CC3c2cc1O Show InChI InChI=1S/C21H25NO4/c1-24-19-10-14-5-7-22-6-4-13-9-20(25-2)21(26-3)11-15(13)8-17(22)16(14)12-18(19)23/h9-12,17,23H,4-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM199154 (2,3,11,12-tetramethoxy-5,6,8,9,14,14a-hexahydroben...) Show SMILES COc1cc2CCN3CCc4cc(OC)c(OC)cc4CC3c2cc1OC Show InChI InChI=1S/C22H27NO4/c1-24-19-10-14-5-7-23-8-6-15-11-20(25-2)22(27-4)13-17(15)18(23)9-16(14)12-21(19)26-3/h10-13,18H,5-9H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM199156 (2,3,10,11-tetramethoxy-5,6,8,9,14,14a-hexahydroben...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1OC)ccc(OC)c4OC Show InChI InChI=1S/C22H27NO4/c1-24-19-6-5-14-11-18-17-13-21(26-3)20(25-2)12-15(17)7-9-23(18)10-8-16(14)22(19)27-4/h5-6,12-13,18H,7-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM199154 (2,3,11,12-tetramethoxy-5,6,8,9,14,14a-hexahydroben...) Show SMILES COc1cc2CCN3CCc4cc(OC)c(OC)cc4CC3c2cc1OC Show InChI InChI=1S/C22H27NO4/c1-24-19-10-14-5-7-23-8-6-15-11-20(25-2)22(27-4)13-17(15)18(23)9-16(14)12-21(19)26-3/h10-13,18H,5-9H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM199159 (Hexahydrobenzo[4,5]azepino[2,1-a]isoquinoline, 16) Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)CCc2c1OC Show InChI InChI=1S/C21H23NO4/c1-23-18-4-3-13-9-17-16-11-20-19(25-12-26-20)10-14(16)5-7-22(17)8-6-15(13)21(18)24-2/h3-4,10-11,17H,5-9,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM199156 (2,3,10,11-tetramethoxy-5,6,8,9,14,14a-hexahydroben...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1OC)ccc(OC)c4OC Show InChI InChI=1S/C22H27NO4/c1-24-19-6-5-14-11-18-17-13-21(26-3)20(25-2)12-15(17)7-9-23(18)10-8-16(14)22(19)27-4/h5-6,12-13,18H,7-11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM199157 (3,10,11-trimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4OC Show InChI InChI=1S/C21H25NO4/c1-24-19-5-4-13-10-17-16-12-18(23)20(25-2)11-14(16)6-8-22(17)9-7-15(13)21(19)26-3/h4-5,11-12,17,23H,6-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM199161 (5,6,8,9,14,14a-hexahydrobenzo[4,5]azepino[2,1-a]is...) Show SMILES Oc1cc2CCN3CCc4c(CC3c2cc1O)ccc(O)c4O Show InChI InChI=1S/C18H19NO4/c20-15-2-1-10-7-14-13-9-17(22)16(21)8-11(13)3-5-19(14)6-4-12(10)18(15)23/h1-2,8-9,14,20-23H,3-7H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM199154 (2,3,11,12-tetramethoxy-5,6,8,9,14,14a-hexahydroben...) Show SMILES COc1cc2CCN3CCc4cc(OC)c(OC)cc4CC3c2cc1OC Show InChI InChI=1S/C22H27NO4/c1-24-19-10-14-5-7-23-8-6-15-11-20(25-2)22(27-4)13-17(15)18(23)9-16(14)12-21(19)26-3/h10-13,18H,5-9H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM199155 (3,11,12-trimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4...) Show SMILES COc1cc2CCN3CCc4cc(OC)c(OC)cc4CC3c2cc1O Show InChI InChI=1S/C21H25NO4/c1-24-19-10-14-5-7-22-6-4-13-9-20(25-2)21(26-3)11-15(13)8-17(22)16(14)12-18(19)23/h9-12,17,23H,4-8H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM199160 (Hexahydrobenzo[4,5]azepino[2,1-a]isoquinoline, 17) Show SMILES COc1ccc2CC3N(CCc4cc(O)c(O)cc34)CCc2c1OC Show InChI InChI=1S/C20H23NO4/c1-24-19-4-3-12-9-16-15-11-18(23)17(22)10-13(15)5-7-21(16)8-6-14(12)20(19)25-2/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM199162 (3,10,11-trimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1OC(C)=O)ccc(OC)c4OC Show InChI InChI=1S/C23H27NO5/c1-14(25)29-22-13-18-16(12-21(22)27-3)7-9-24-10-8-17-15(11-19(18)24)5-6-20(26-2)23(17)28-4/h5-6,12-13,19H,7-11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM199156 (2,3,10,11-tetramethoxy-5,6,8,9,14,14a-hexahydroben...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1OC)ccc(OC)c4OC Show InChI InChI=1S/C22H27NO4/c1-24-19-6-5-14-11-18-17-13-21(26-3)20(25-2)12-15(17)7-9-23(18)10-8-16(14)22(19)27-4/h5-6,12-13,18H,7-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM199159 (Hexahydrobenzo[4,5]azepino[2,1-a]isoquinoline, 16) Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)CCc2c1OC Show InChI InChI=1S/C21H23NO4/c1-23-18-4-3-13-9-17-16-11-20-19(25-12-26-20)10-14(16)5-7-22(17)8-6-15(13)21(18)24-2/h3-4,10-11,17H,5-9,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM199160 (Hexahydrobenzo[4,5]azepino[2,1-a]isoquinoline, 17) Show SMILES COc1ccc2CC3N(CCc4cc(O)c(O)cc34)CCc2c1OC Show InChI InChI=1S/C20H23NO4/c1-24-19-4-3-12-9-16-15-11-18(23)17(22)10-13(15)5-7-21(16)8-6-14(12)20(19)25-2/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	61.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM199155 (3,11,12-trimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4...) Show SMILES COc1cc2CCN3CCc4cc(OC)c(OC)cc4CC3c2cc1O Show InChI InChI=1S/C21H25NO4/c1-24-19-10-14-5-7-22-6-4-13-9-20(25-2)21(26-3)11-15(13)8-17(22)16(14)12-18(19)23/h9-12,17,23H,4-8H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	69.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM199161 (5,6,8,9,14,14a-hexahydrobenzo[4,5]azepino[2,1-a]is...) Show SMILES Oc1cc2CCN3CCc4c(CC3c2cc1O)ccc(O)c4O Show InChI InChI=1S/C18H19NO4/c20-15-2-1-10-7-14-13-9-17(22)16(21)8-11(13)3-5-19(14)6-4-12(10)18(15)23/h1-2,8-9,14,20-23H,3-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	72.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	72.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM199162 (3,10,11-trimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1OC(C)=O)ccc(OC)c4OC Show InChI InChI=1S/C23H27NO5/c1-14(25)29-22-13-18-16(12-21(22)27-3)7-9-24-10-8-17-15(11-19(18)24)5-6-20(26-2)23(17)28-4/h5-6,12-13,19H,7-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM199157 (3,10,11-trimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4OC Show InChI InChI=1S/C21H25NO4/c1-24-19-5-4-13-10-17-16-12-18(23)20(25-2)11-14(16)6-8-22(17)9-7-15(13)21(19)26-3/h4-5,11-12,17,23H,6-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	84.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	88.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM199160 (Hexahydrobenzo[4,5]azepino[2,1-a]isoquinoline, 17) Show SMILES COc1ccc2CC3N(CCc4cc(O)c(O)cc34)CCc2c1OC Show InChI InChI=1S/C20H23NO4/c1-24-19-4-3-12-9-16-15-11-18(23)17(22)10-13(15)5-7-21(16)8-6-14(12)20(19)25-2/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM199157 (3,10,11-trimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4OC Show InChI InChI=1S/C21H25NO4/c1-24-19-5-4-13-10-17-16-12-18(23)20(25-2)11-14(16)6-8-22(17)9-7-15(13)21(19)26-3/h4-5,11-12,17,23H,6-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	284	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM199161 (5,6,8,9,14,14a-hexahydrobenzo[4,5]azepino[2,1-a]is...) Show SMILES Oc1cc2CCN3CCc4c(CC3c2cc1O)ccc(O)c4O Show InChI InChI=1S/C18H19NO4/c20-15-2-1-10-7-14-13-9-17(22)16(21)8-11(13)3-5-19(14)6-4-12(10)18(15)23/h1-2,8-9,14,20-23H,3-7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	471	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM199162 (3,10,11-trimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1OC(C)=O)ccc(OC)c4OC Show InChI InChI=1S/C23H27NO5/c1-14(25)29-22-13-18-16(12-21(22)27-3)7-9-24-10-8-17-15(11-19(18)24)5-6-20(26-2)23(17)28-4/h5-6,12-13,19H,7-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	474	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM199158 (3,11-dimethoxy-5,6,8,9,14,14a-hexahydrobenzo[4,5]a...) Show SMILES COc1cc2CCN3CCc4c(CC3c2cc1O)ccc(OC)c4O Show InChI InChI=1S/C20H23NO4/c1-24-18-4-3-12-9-16-15-11-17(22)19(25-2)10-13(15)5-7-21(16)8-6-14(12)20(18)23/h3-4,10-11,16,22-23H,5-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University					Assay Description The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...				Chem Biol Drug Des 88: 599-607 (2016) Article DOI: 10.1111/cbdd.12796 BindingDB Entry DOI: 10.7270/Q2QF8RQ5
					More data for this Ligand-Target Pair