Compile Data Set for Download or QSAR

Found 527 hits with Last Name = 'hawkinson' and Initial = 'je'   

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
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50045050 (1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...) Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	17.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (RAT)	BDBM50045050 (1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...) Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (RAT)	BDBM50045050 (1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...) Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50045050 (1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...) Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (RAT)	BDBM50045050 (1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...) Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (RAT)	BDBM85683 (Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM85683 (Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM85683 (Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (RAT)	BDBM85683 (Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (RAT)	BDBM50045050 (1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...) Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50045050 (1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...) Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (RAT)	BDBM85683 (Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM85683 (Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255109 (CHEMBL4081196) Show SMILES [H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)c1cn(Cc2ccccc2)nn1 |r| Show InChI InChI=1S/C28H39N3O6/c1-25-13-22(34)24-20(7-9-26(36)12-18(33)11-23(35)27(24,26)16-32)28(25,37)10-8-19(25)21-15-31(30-29-21)14-17-5-3-2-4-6-17/h2-6,15,18-20,22-24,32-37H,7-14,16H2,1H3/t18-,19+,20+,22+,23+,24+,25+,26-,27+,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255111 (CHEMBL4092961) Show SMILES [H][C@@]12C[C@@H](C[C@@]3(O)CC[C@]4([H])[C@]([H])([C@@H](C[C@]5(C)[C@@H](CO)CC[C@]45OCOC)OCOC)[C@@]13COC(C)(C)O2)OCOC |r| Show InChI InChI=1S/C29H50O10/c1-25(2)37-15-28-23(39-25)11-20(35-16-32-4)12-27(28,31)9-8-21-24(28)22(36-17-33-5)13-26(3)19(14-30)7-10-29(21,26)38-18-34-6/h19-24,30-31H,7-18H2,1-6H3/t19-,20+,21-,22-,23-,24-,26-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0110	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255122 (CHEMBL4059538) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@]([H])(O[C@H]1C[C@@]3([H])OC(C)(C)OC[C@]33[C@@]4([H])[C@@H](C[C@]5(C)[C@@H](CO)CC[C@]5(O)[C@]4([H])CC[C@]3(O)C1)OCOC)O[C@@H](C)[C@@H]2OCOC |r| Show InChI InChI=1S/C36H60O13/c1-20-27(43-19-41-8)28-29(49-32(4,5)48-28)30(45-20)46-22-13-25-35(17-44-31(2,3)47-25)26-23(10-11-34(35,38)14-22)36(39)12-9-21(16-37)33(36,6)15-24(26)42-18-40-7/h20-30,37-39H,9-19H2,1-8H3/t20-,21+,22-,23+,24+,25+,26+,27-,28+,29+,30-,33+,34-,35+,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255138 (CHEMBL4066361) Show SMILES [H][C@@]12C[C@@H](C[C@@]3(O)CC[C@]4([H])[C@]([H])([C@@H](C[C@]5(C)[C@H](CC[C@]45OCOC)\C=N\O)OCOC)[C@@]13COC(C)(C)O2)OCOC |r| Show InChI InChI=1S/C29H49NO10/c1-25(2)38-15-28-23(40-25)11-20(36-16-33-4)12-27(28,31)9-8-21-24(28)22(37-17-34-5)13-26(3)19(14-30-32)7-10-29(21,26)39-18-35-6/h14,19-24,31-32H,7-13,15-18H2,1-6H3/b30-14+/t19-,20+,21-,22-,23-,24-,26-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-3 (Rattus norvegicus)	BDBM50286739 (4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...) Show SMILES C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O |r,t:33| Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta3 expressed in baculovirus infected Sf9 cell membranes using [gamma-32P]ATP as substrate prein...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255120 (CHEBI:38178 | STROPHANTHIDIN) Show SMILES [H][C@@]12CC[C@]3(O)C[C@@H](O)CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1 |r,t:29| Show InChI InChI=1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255119 (CHEMBL4071710) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@]([H])(O[C@H]1C[C@@]3([H])OC(C)(C)OC[C@]33[C@@]4([H])[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@]4([H])CC[C@]3(O)C1)C1=CC(=O)OC1)O[C@@H](C)[C@@H]2O |r,t:48| Show InChI InChI=1S/C35H52O12/c1-17-26(38)27-28(47-31(4,5)46-27)29(43-17)44-19-12-23-34(16-42-30(2,3)45-23)25-21(7-9-33(34,39)13-19)35(40)10-8-20(18-11-24(37)41-15-18)32(35,6)14-22(25)36/h11,17,19-23,25-29,36,38-40H,7-10,12-16H2,1-6H3/t17-,19-,20+,21+,22+,23+,25+,26-,27+,28+,29-,32+,33-,34+,35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50286739 (4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...) Show SMILES C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O |r,t:33| Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50056605 (7-Chloro-6-methyl-5-nitro-1,4-dihydro-quinoxaline-...) Show SMILES Cc1c(Cl)cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O Show InChI InChI=1S/C9H6ClN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H2,11,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...				J Med Chem 40: 730-8 (1997) Article DOI: 10.1021/jm960654b BindingDB Entry DOI: 10.7270/Q2NZ86RJ
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255140 (CHEMBL4076623) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@]([H])(O[C@H]1C[C@@]3([H])OC(C)(C)OC[C@]33[C@@]4([H])[C@@H](C[C@]5(C)[C@H](CC[C@]5(O)[C@]4([H])CC[C@]3(O)C1)C=O)OCOC)O[C@@H](C)[C@@H]2OCOC |r| Show InChI InChI=1S/C36H58O13/c1-20-27(43-19-41-8)28-29(49-32(4,5)48-28)30(45-20)46-22-13-25-35(17-44-31(2,3)47-25)26-23(10-11-34(35,38)14-22)36(39)12-9-21(16-37)33(36,6)15-24(26)42-18-40-7/h16,20-30,38-39H,9-15,17-19H2,1-8H3/t20-,21+,22-,23+,24+,25+,26+,27-,28+,29+,30-,33+,34-,35+,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255139 (CHEMBL4085219) Show SMILES [H][C@@]12C[C@@H](C[C@@]3(O)CC[C@]4([H])[C@]([H])([C@@H](C[C@]5(C)[C@H](CC[C@]45OCOC)c4cn(Cc5ccccc5)nn4)OCOC)[C@@]13COC(C)(C)O2)OCOC |r| Show InChI InChI=1S/C37H55N3O9/c1-33(2)47-21-36-31(49-33)16-26(45-22-42-4)17-35(36,41)14-12-28-32(36)30(46-23-43-5)18-34(3)27(13-15-37(28,34)48-24-44-6)29-20-40(39-38-29)19-25-10-8-7-9-11-25/h7-11,20,26-28,30-32,41H,12-19,21-24H2,1-6H3/t26-,27+,28+,30+,31+,32+,34+,35-,36+,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM46355 (DIGOXIN | MLS000069819 | SMR000059217 | US10668094...) Show SMILES C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46| Show InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50038161 (6,7-Dichloro-3-hydroxy-5-nitro-3,4-dihydro-1H-quin...) Show SMILES [O-][N+](=O)c1c(Cl)c(Cl)cc2[n-]c(=[OH+])c(=O)[nH]c12 Show InChI InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H2,11,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...				J Med Chem 40: 730-8 (1997) Article DOI: 10.1021/jm960654b BindingDB Entry DOI: 10.7270/Q2NZ86RJ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50052635 (5,6,7-Trichloro-1H-quinoline-2,3,4-trione 3-oxime ...) Show SMILES Oc1c(N=O)c(=O)[nH]c2cc(Cl)c(Cl)c(Cl)c12 Show InChI InChI=1S/C9H3Cl3N2O3/c10-2-1-3-4(6(12)5(2)11)8(15)7(14-17)9(16)13-3/h1H,(H2,13,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes				J Med Chem 39: 3248-55 (1996) Article DOI: 10.1021/jm960214k BindingDB Entry DOI: 10.7270/Q2QC02KC
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50056596 (7-Bromo-6-methyl-5-nitro-1,4-dihydro-quinoxaline-2...) Show SMILES Cc1c(Br)cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O Show InChI InChI=1S/C9H6BrN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H2,11,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...				J Med Chem 40: 730-8 (1997) Article DOI: 10.1021/jm960654b BindingDB Entry DOI: 10.7270/Q2NZ86RJ
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255128 (CHEMBL4067657) Show SMILES [H][C@@]12C[C@@H](C[C@@]3(O)CC[C@]4([H])[C@]([H])([C@@H](C[C@]5(C)[C@H](CC[C@]45OCOC)C(O)C#C)OCOC)[C@@]13COC(C)(C)O2)OCOC |r| Show InChI InChI=1S/C31H50O10/c1-8-23(32)21-10-12-31(40-19-36-7)22-9-11-29(33)14-20(37-17-34-5)13-25-30(29,16-39-27(2,3)41-25)26(22)24(38-18-35-6)15-28(21,31)4/h1,20-26,32-33H,9-19H2,2-7H3/t20-,21+,22+,23?,24+,25+,26+,28+,29-,30+,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50369783 (CHEMBL1203902) Show SMILES Oc1ccc(cc1)C1=CCN(CCCCc2ccccc2)CC1 |t:8| Show InChI InChI=1S/C21H25NO/c23-21-11-9-19(10-12-21)20-13-16-22(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-13,23H,4-5,8,14-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.				J Med Chem 43: 984-94 (2000) BindingDB Entry DOI: 10.7270/Q20G3KVT
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255121 (CHEBI:4037 | CHEMBL1075788) Show SMILES [H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@H](CC[C@]4(C=O)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](OC)[C@H](O)[C@@H](C)O1)C1=CC(=O)OC1 |t:41| Show InChI InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255117 (CHEMBL4072996) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@]([H])(O[C@H]1C[C@@]3([H])OC(C)(C)OC[C@]33[C@@]4([H])[C@@H](C[C@]5(C)[C@H](CC[C@]5(O)[C@]4([H])CC[C@]3(O)C1)C(O)c1cn(Cc3ccc(F)cc3)nn1)OCOC)O[C@@H](C)[C@@H]2OCOC |r| Show InChI InChI=1S/C45H66FN3O13/c1-25-36(56-24-54-8)37-38(62-41(4,5)61-37)39(58-25)59-28-17-33-44(22-57-40(2,3)60-33)34-29(13-15-43(44,51)18-28)45(52)16-14-30(42(45,6)19-32(34)55-23-53-7)35(50)31-21-49(48-47-31)20-26-9-11-27(46)12-10-26/h9-12,21,25,28-30,32-39,50-52H,13-20,22-24H2,1-8H3/t25-,28-,29+,30+,32+,33+,34+,35?,36-,37+,38+,39-,42+,43-,44+,45-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50052629 (6,7-Dichloro-1H-quinoline-2,3,4-trione 3-oxime | C...) Show SMILES Oc1c(N=O)c(=O)[nH]c2cc(Cl)c(Cl)cc12 Show InChI InChI=1S/C9H4Cl2N2O3/c10-4-1-3-6(2-5(4)11)12-9(15)7(13-16)8(3)14/h1-2H,(H2,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes				J Med Chem 39: 3248-55 (1996) Article DOI: 10.1021/jm960214k BindingDB Entry DOI: 10.7270/Q2QC02KC
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50085922 (4-(4-Hydroxy-phenyl)-1-(4-phenyl-butyl)-piperidin-...) Show SMILES Oc1ccc(cc1)C1(O)CCN(CCCCc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c23-20-11-9-19(10-12-20)21(24)13-16-22(17-14-21)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,23-24H,4-5,8,13-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.				J Med Chem 43: 984-94 (2000) BindingDB Entry DOI: 10.7270/Q20G3KVT
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255116 (CHEMBL4074239) Show SMILES [H][C@@]1(O[C@H]2C[C@@H](O)[C@]3(CO)[C@@]4([H])[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@]4([H])CC[C@]3(O)C2)C(O)c2cn(Cc3ccc(F)cc3)nn2)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C35H50FN3O11/c1-17-27(43)29(45)30(46)31(49-17)50-20-11-25(42)34(16-40)26-21(7-9-33(34,47)12-20)35(48)10-8-22(32(35,2)13-24(26)41)28(44)23-15-39(38-37-23)14-18-3-5-19(36)6-4-18/h3-6,15,17,20-22,24-31,40-48H,7-14,16H2,1-2H3/t17-,20-,21+,22+,24+,25+,26+,27-,28?,29+,30+,31-,32+,33-,34+,35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50085933 (4-[1-(5-Phenyl-pentyl)-pyrrolidin-3-yl]-phenol | C...) Show SMILES Oc1ccc(cc1)C1CCN(CCCCCc2ccccc2)C1 Show InChI InChI=1S/C21H27NO/c23-21-12-10-19(11-13-21)20-14-16-22(17-20)15-6-2-5-9-18-7-3-1-4-8-18/h1,3-4,7-8,10-13,20,23H,2,5-6,9,14-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.				J Med Chem 43: 984-94 (2000) BindingDB Entry DOI: 10.7270/Q20G3KVT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50085927 (4-[1-(2-Hydroxy-4-phenyl-butyl)-piperidin-4-yl]-ph...) Show SMILES OC(CCc1ccccc1)CN1CCC(CC1)c1ccc(O)cc1 Show InChI InChI=1S/C21H27NO2/c23-20-10-7-18(8-11-20)19-12-14-22(15-13-19)16-21(24)9-6-17-4-2-1-3-5-17/h1-5,7-8,10-11,19,21,23-24H,6,9,12-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.				J Med Chem 43: 984-94 (2000) BindingDB Entry DOI: 10.7270/Q20G3KVT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50369786 (CHEMBL1201889) Show SMILES Oc1ccc(cc1)C1CCN(CCOCc2ccccc2)CC1 Show InChI InChI=1S/C20H25NO2/c22-20-8-6-18(7-9-20)19-10-12-21(13-11-19)14-15-23-16-17-4-2-1-3-5-17/h1-9,19,22H,10-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.				J Med Chem 43: 984-94 (2000) BindingDB Entry DOI: 10.7270/Q20G3KVT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50056618 (6,7-Dibromo-5-nitro-1,4-dihydro-quinoxaline-2,3-di...) Show SMILES [O-][N+](=O)c1c(Br)c(Br)cc2[n-]c(=[OH+])c(=O)[nH]c12 Show InChI InChI=1S/C8H3Br2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H2,11,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...				J Med Chem 40: 730-8 (1997) Article DOI: 10.1021/jm960654b BindingDB Entry DOI: 10.7270/Q2NZ86RJ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50369791 (CHEMBL1202296) Show SMILES Oc1ccc(cc1)C1CCN(CCCCc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO/c23-21-11-9-19(10-12-21)20-13-16-22(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20,23H,4-5,8,13-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.				J Med Chem 43: 984-94 (2000) BindingDB Entry DOI: 10.7270/Q20G3KVT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50079386 (4-[2-(4-Benzyl-piperidin-1-yl)-ethoxy]-phenol | 4-...) Show SMILES Oc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H25NO2/c22-19-6-8-20(9-7-19)23-15-14-21-12-10-18(11-13-21)16-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes				J Med Chem 42: 2993-3000 (1999) Article DOI: 10.1021/jm990246i BindingDB Entry DOI: 10.7270/Q2RX9B8W
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50085929 (4-(4-Hydroxy-phenyl)-1-(2-hydroxy-4-phenyl-butyl)-...) Show SMILES OC(CCc1ccccc1)CN1CCC(O)(CC1)c1ccc(O)cc1 Show InChI InChI=1S/C21H27NO3/c23-19-10-7-18(8-11-19)21(25)12-14-22(15-13-21)16-20(24)9-6-17-4-2-1-3-5-17/h1-5,7-8,10-11,20,23-25H,6,9,12-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.				J Med Chem 43: 984-94 (2000) BindingDB Entry DOI: 10.7270/Q20G3KVT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50079389 (4-{2-[4-(4-Methyl-benzyl)-piperidin-1-yl]-ethoxy}-...) Show SMILES Cc1ccc(CC2CCN(CCOc3ccc(O)cc3)CC2)cc1 Show InChI InChI=1S/C21H27NO2/c1-17-2-4-18(5-3-17)16-19-10-12-22(13-11-19)14-15-24-21-8-6-20(23)7-9-21/h2-9,19,23H,10-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes				J Med Chem 42: 2993-3000 (1999) Article DOI: 10.1021/jm990246i BindingDB Entry DOI: 10.7270/Q2RX9B8W
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50056595 (6,7-Dimethyl-5-nitro-1,4-dihydro-quinoxaline-2,3-d...) Show SMILES Cc1cc2[n-]c(=[OH+])c(=O)[nH]c2c(c1C)[N+]([O-])=O Show InChI InChI=1S/C10H9N3O4/c1-4-3-6-7(8(5(4)2)13(16)17)12-10(15)9(14)11-6/h3H,1-2H3,(H2,11,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...				J Med Chem 40: 730-8 (1997) Article DOI: 10.1021/jm960654b BindingDB Entry DOI: 10.7270/Q2NZ86RJ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50056620 (6-Chloro-7-ethyl-5-nitro-1,4-dihydro-quinoxaline-2...) Show SMILES CCc1cc2[n-]c(=[OH+])c(=O)[nH]c2c(c1Cl)[N+]([O-])=O Show InChI InChI=1S/C10H8ClN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H2,12,13,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...				J Med Chem 40: 730-8 (1997) Article DOI: 10.1021/jm960654b BindingDB Entry DOI: 10.7270/Q2NZ86RJ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50052627 (5,6,7-Trichloro-1,4-dihydro-quinoxaline-2,3-dione ...) Show SMILES Clc1cc2[nH]c(=O)c(=O)[nH]c2c(Cl)c1Cl Show InChI InChI=1S/C8H3Cl3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes				J Med Chem 39: 3248-55 (1996) Article DOI: 10.1021/jm960214k BindingDB Entry DOI: 10.7270/Q2QC02KC
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-3/beta-1 (Rattus norvegicus)	BDBM50286739 (4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...) Show SMILES C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O |r,t:33| Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha3/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255108 (CHEMBL4077606) Show SMILES [H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)c1cn(Cc2ccc(Cl)cc2)nn1 |r| Show InChI InChI=1S/C28H38ClN3O6/c1-25-12-22(35)24-20(6-8-26(37)11-18(34)10-23(36)27(24,26)15-33)28(25,38)9-7-19(25)21-14-32(31-30-21)13-16-2-4-17(29)5-3-16/h2-5,14,18-20,22-24,33-38H,6-13,15H2,1H3/t18-,19+,20+,22+,23+,24+,25+,26-,27+,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255107 (CHEMBL4093925) Show SMILES [H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)c1cn(Cc2ccc(F)cc2)nn1 |r| Show InChI InChI=1S/C28H38FN3O6/c1-25-12-22(35)24-20(6-8-26(37)11-18(34)10-23(36)27(24,26)15-33)28(25,38)9-7-19(25)21-14-32(31-30-21)13-16-2-4-17(29)5-3-16/h2-5,14,18-20,22-24,33-38H,6-13,15H2,1H3/t18-,19+,20+,22+,23+,24+,25+,26-,27+,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255114 (CHEMBL4072200) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@]([H])(O[C@H]1C[C@@]3([H])OC(C)(C)OC[C@]33[C@@]4([H])[C@@H](C[C@]5(C)[C@H](CC[C@]5(O)[C@]4([H])CC[C@]3(O)C1)C#N)OCOC)O[C@@H](C)[C@@H]2OCOC |r| Show InChI InChI=1S/C36H57NO12/c1-20-27(43-19-41-8)28-29(49-32(4,5)48-28)30(45-20)46-22-13-25-35(17-44-31(2,3)47-25)26-23(10-11-34(35,38)14-22)36(39)12-9-21(16-37)33(36,6)15-24(26)42-18-40-7/h20-30,38-39H,9-15,17-19H2,1-8H3/t20-,21+,22-,23+,24+,25+,26+,27-,28+,29+,30-,33+,34-,35+,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair

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