Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'lü' and Initial = 'y'   

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
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)	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 (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
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50052625 (5,7-Dichloro-1H-quinoline-2,3,4-trione 3-oxime | C...) Show SMILES Oc1c(N=O)c(=O)[nH]c2cc(Cl)cc(Cl)c12 Show InChI InChI=1S/C9H4Cl2N2O3/c10-3-1-4(11)6-5(2-3)12-9(15)7(13-16)8(6)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	33	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)	BDBM50052626 (5,7-Dimethyl-1H-quinoline-2,3,4-trione 3-oxime | C...) Show SMILES Cc1cc(C)c2c(O)c(N=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C11H10N2O3/c1-5-3-6(2)8-7(4-5)12-11(15)9(13-16)10(8)14/h3-4H,1-2H3,(H2,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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)	BDBM50052631 (7-Chloro-1H-quinoline-2,3,4-trione 3-oxime | CHEMB...) Show SMILES Oc1c(N=O)c(=O)[nH]c2cc(Cl)ccc12 Show InChI InChI=1S/C9H5ClN2O3/c10-4-1-2-5-6(3-4)11-9(14)7(12-15)8(5)13/h1-3H,(H2,11,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	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)	BDBM22778 (6,7-Dichloro-1,4-dihydro-quinoxaline-2,3-dione | 6...) Show SMILES Clc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl Show InChI InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	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)	BDBM50052621 (5,6-Dichloro-1H-quinoline-2,3,4-trione 3-oxime | C...) Show SMILES Oc1c(N=O)c(=O)[nH]c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C9H4Cl2N2O3/c10-3-1-2-4-5(6(3)11)8(14)7(13-16)9(15)12-4/h1-2H,(H2,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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)	BDBM50008757 (5,7-Dichloro-1,4-dihydro-quinoxaline-2,3-dione | C...) Show SMILES Clc1cc(Cl)c2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C8H4Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H,(H,11,13)(H,12,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	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)	BDBM50052624 (6-Chloro-5,7-difluoro-1,4-dihydro-quinoxaline-2,3-...) Show SMILES Fc1cc2[nH]c(=O)c(=O)[nH]c2c(F)c1Cl Show InChI InChI=1S/C8H3ClF2N2O2/c9-4-2(10)1-3-6(5(4)11)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	Article PubMed	n/a	n/a	630	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)	BDBM50052630 (5,6,7,8-Tetrafluoro-1,4-dihydro-quinoxaline-2,3-di...) Show SMILES Fc1c(F)c(F)c2[nH]c(=O)c(=O)[nH]c2c1F Show InChI InChI=1S/C8H2F4N2O2/c9-1-2(10)4(12)6-5(3(1)11)13-7(15)8(16)14-6/h(H,13,15)(H,14,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	730	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)	BDBM50052633 (7-Chloro-6,8-difluoro-1H-quinoline-2,3,4-trione 3-...) Show SMILES Oc1c(N=O)c(=O)[nH]c2c(F)c(Cl)c(F)cc12 Show InChI InChI=1S/C9H3ClF2N2O3/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(14-17)8(2)15/h1H,(H2,13,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	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)	BDBM50052636 (1H-Quinoline-2,3,4-trione 3-oxime | CHEMBL42071) Show SMILES Oc1c(N=O)c(=O)[nH]c2ccccc12 Show InChI InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11-14/h1-4H,(H2,10,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	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)	BDBM50008747 (6-Chloro-1,4-dihydro-quinoxaline-2,3-dione | CHEMB...) Show SMILES Clc1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	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)	BDBM50052623 (5,7-Dimethyl-1,4-dihydro-quinoxaline-2,3-dione | C...) Show SMILES Cc1cc(C)c2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C10H10N2O2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8/h3-4H,1-2H3,(H,11,13)(H,12,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50316864 (CHEMBL1099361 | [(2R,4S,5S)-5-(N-Boc-L-leucyl-L-ph...) Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C34H58N4O6/c1-21(2)16-26(29(39)18-24(7)30(40)35-20-23(5)6)36-32(42)28(19-25-14-12-11-13-15-25)37-31(41)27(17-22(3)4)38-33(43)44-34(8,9)10/h11-15,21-24,26-29,39H,16-20H2,1-10H3,(H,35,40)(H,36,42)(H,37,41)(H,38,43)/t24-,26+,27+,28+,29+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins				Eur J Med Chem 45: 2089-94 (2010) Article DOI: 10.1016/j.ejmech.2010.01.044 BindingDB Entry DOI: 10.7270/Q2CF9Q86
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50316861 (CHEMBL1099022 | N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(...) Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C30H41N5O8/c1-18(2)14-25(27(36)15-20(5)28(37)31-17-19(3)4)32-30(39)26(16-21-6-10-23(11-7-21)34(40)41)33-29(38)22-8-12-24(13-9-22)35(42)43/h6-13,18-20,25-27,36H,14-17H2,1-5H3,(H,31,37)(H,32,39)(H,33,38)/t20-,25+,26+,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins				Eur J Med Chem 45: 2089-94 (2010) Article DOI: 10.1016/j.ejmech.2010.01.044 BindingDB Entry DOI: 10.7270/Q2CF9Q86
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50052622 (5,6,7,8-Tetrafluoro-1H-quinoline-2,3,4-trione 3-ox...) Show SMILES Oc1c(N=O)c(=O)[nH]c2c(F)c(F)c(F)c(F)c12 Show InChI InChI=1S/C9H2F4N2O3/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(15-18)8(1)16/h(H2,14,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	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)	BDBM50052628 (6-Chloro-1H-quinoline-2,3,4-trione 3-oxime | CHEMB...) Show SMILES Oc1c(N=O)c(=O)[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C9H5ClN2O3/c10-4-1-2-6-5(3-4)8(13)7(12-15)9(14)11-6/h1-3H,(H2,11,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50316860 ((2R,4S,5S)-4-hydroxy-N-isobutyl-2,7-dimethyl-5-((S...) Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C33H43F3N4O6/c1-20(2)16-27(29(41)17-22(5)31(43)37-19-21(3)4)39-32(44)28(18-24-8-13-26(14-9-24)40(45)46)38-30(42)15-10-23-6-11-25(12-7-23)33(34,35)36/h6-15,20-22,27-29,41H,16-19H2,1-5H3,(H,37,43)(H,38,42)(H,39,44)/b15-10+/t22-,27+,28+,29+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins				Eur J Med Chem 45: 2089-94 (2010) Article DOI: 10.1016/j.ejmech.2010.01.044 BindingDB Entry DOI: 10.7270/Q2CF9Q86
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50316862 (CHEMBL1099023 | N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(...) Show SMILES COc1ccc(cc1OC)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C |r| Show InChI InChI=1S/C32H46N4O8/c1-19(2)14-25(27(37)15-21(5)30(38)33-18-20(3)4)34-32(40)26(16-22-8-11-24(12-9-22)36(41)42)35-31(39)23-10-13-28(43-6)29(17-23)44-7/h8-13,17,19-21,25-27,37H,14-16,18H2,1-7H3,(H,33,38)(H,34,40)(H,35,39)/t21-,25+,26+,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins				Eur J Med Chem 45: 2089-94 (2010) Article DOI: 10.1016/j.ejmech.2010.01.044 BindingDB Entry DOI: 10.7270/Q2CF9Q86
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50316863 (2,4-dichloro-N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(iso...) Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C30H40Cl2N4O6/c1-17(2)12-25(27(37)13-19(5)28(38)33-16-18(3)4)34-30(40)26(14-20-6-9-22(10-7-20)36(41)42)35-29(39)23-11-8-21(31)15-24(23)32/h6-11,15,17-19,25-27,37H,12-14,16H2,1-5H3,(H,33,38)(H,34,40)(H,35,39)/t19-,25+,26+,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins				Eur J Med Chem 45: 2089-94 (2010) Article DOI: 10.1016/j.ejmech.2010.01.044 BindingDB Entry DOI: 10.7270/Q2CF9Q86
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50052634 (5-Chloro-1H-quinoline-2,3,4-trione 3-oxime | CHEMB...) Show SMILES Oc1c(N=O)c(=O)[nH]c2cccc(Cl)c12 Show InChI InChI=1S/C9H5ClN2O3/c10-4-2-1-3-5-6(4)8(13)7(12-15)9(14)11-5/h1-3H,(H2,11,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50316867 (CHEMBL1086716 | N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(...) Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C34H45N3O4/c1-22(2)18-29(31(38)19-24(5)32(39)35-21-23(3)4)36-34(41)30(20-25-12-7-6-8-13-25)37-33(40)28-17-11-15-26-14-9-10-16-27(26)28/h6-17,22-24,29-31,38H,18-21H2,1-5H3,(H,35,39)(H,36,41)(H,37,40)/t24-,29+,30+,31+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins				Eur J Med Chem 45: 2089-94 (2010) Article DOI: 10.1016/j.ejmech.2010.01.044 BindingDB Entry DOI: 10.7270/Q2CF9Q86
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50316865 (CHEMBL1087609 | N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(...) Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C30H43N3O4/c1-20(2)16-25(27(34)17-22(5)28(35)31-19-21(3)4)32-30(37)26(18-23-12-8-6-9-13-23)33-29(36)24-14-10-7-11-15-24/h6-15,20-22,25-27,34H,16-19H2,1-5H3,(H,31,35)(H,32,37)(H,33,36)/t22-,25+,26+,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins				Eur J Med Chem 45: 2089-94 (2010) Article DOI: 10.1016/j.ejmech.2010.01.044 BindingDB Entry DOI: 10.7270/Q2CF9Q86
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50316858 (CHEMBL1088138 | N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(...) Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C31H43N3O6/c1-19(2)13-24(26(35)14-21(5)29(36)32-17-20(3)4)33-31(38)25(15-22-9-7-6-8-10-22)34-30(37)23-11-12-27-28(16-23)40-18-39-27/h6-12,16,19-21,24-26,35H,13-15,17-18H2,1-5H3,(H,32,36)(H,33,38)(H,34,37)/t21-,24+,25+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins				Eur J Med Chem 45: 2089-94 (2010) Article DOI: 10.1016/j.ejmech.2010.01.044 BindingDB Entry DOI: 10.7270/Q2CF9Q86
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50008752 (1,4-Dihydro-quinoxaline-2,3-dione | CHEMBL282672 |...) Show SMILES O=c1[nH]c2ccccc2[nH]c1=O Show InChI InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.80E+3	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50316866 (CHEMBL1087736 | N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(...) Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C30H42N4O6/c1-19(2)15-25(27(35)16-21(5)28(36)31-18-20(3)4)32-30(38)26(17-22-9-7-6-8-10-22)33-29(37)23-11-13-24(14-12-23)34(39)40/h6-14,19-21,25-27,35H,15-18H2,1-5H3,(H,31,36)(H,32,38)(H,33,37)/t21-,25+,26+,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins				Eur J Med Chem 45: 2089-94 (2010) Article DOI: 10.1016/j.ejmech.2010.01.044 BindingDB Entry DOI: 10.7270/Q2CF9Q86
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50316859 (CHEMBL1098682 | [(2R,4S,5S)-5-[N-(4-trifluoromethy...) Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C33H44F3N3O4/c1-21(2)17-27(29(40)18-23(5)31(42)37-20-22(3)4)39-32(43)28(19-25-9-7-6-8-10-25)38-30(41)16-13-24-11-14-26(15-12-24)33(34,35)36/h6-16,21-23,27-29,40H,17-20H2,1-5H3,(H,37,42)(H,38,41)(H,39,43)/b16-13+/t23-,27+,28+,29+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins				Eur J Med Chem 45: 2089-94 (2010) Article DOI: 10.1016/j.ejmech.2010.01.044 BindingDB Entry DOI: 10.7270/Q2CF9Q86
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50052632 (8-Chloro-1H-quinoline-2,3,4-trione 3-oxime | CHEMB...) Show SMILES Oc1c(N=O)c(=O)[nH]c2c(Cl)cccc12 Show InChI InChI=1S/C9H5ClN2O3/c10-5-3-1-2-4-6(5)11-9(14)7(12-15)8(4)13/h1-3H,(H2,11,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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