Found 34 hits with Last Name = 'zhou' and Initial = 'wx' 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 |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055889
(CHEMBL3317913)Show SMILES O=C(N1CCN(CC1)C(=O)c1cccs1)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C23H20N4O3S2/c28-21-18-5-2-1-4-17(18)19(24-25-21)13-16-12-15(14-32-16)22(29)26-7-9-27(10-8-26)23(30)20-6-3-11-31-20/h1-6,11-12,14H,7-10,13H2,(H,25,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001 BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16034
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 | PDB MMDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of recombinant human BACE1 proteolytic activity |
Bioorg Med Chem Lett 22: 1408-14 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16034
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 | PDB MMDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of BACE1 |
Bioorg Med Chem Lett 22: 1408-14 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16034
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay |
Bioorg Med Chem Lett 22: 1408-14 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16034
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of BACE1 expressed in HEK293T cells co-transfected APP with NFEV mutation at proteolytic site by sAPP_NF cell based assay |
Bioorg Med Chem Lett 22: 1408-14 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055890
(CHEMBL3317912)Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2OCOc2c1)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C26H22N4O5S/c31-24-20-4-2-1-3-19(20)21(27-28-24)13-18-11-17(14-36-18)26(33)30-9-7-29(8-10-30)25(32)16-5-6-22-23(12-16)35-15-34-22/h1-6,11-12,14H,7-10,13,15H2,(H,28,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001 BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16034
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 | PDB MMDB
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of recombinant human BACE1 expressed in CHO cells co-transfected with human APP with Swedish mutation assessed as amyloid beta1-40 secreti... |
Bioorg Med Chem Lett 22: 1408-14 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055887
(CHEMBL3317917)Show SMILES O=C(N1CCN(CC1)C(=O)c1ccccn1)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C24H21N5O3S/c30-22-19-6-2-1-5-18(19)21(26-27-22)14-17-13-16(15-33-17)23(31)28-9-11-29(12-10-28)24(32)20-7-3-4-8-25-20/h1-8,13,15H,9-12,14H2,(H,27,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001 BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055891
(CHEMBL3317909)Show SMILES Brc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C25H21BrN4O3S/c26-18-7-5-16(6-8-18)24(32)29-9-11-30(12-10-29)25(33)17-13-19(34-15-17)14-22-20-3-1-2-4-21(20)23(31)28-27-22/h1-8,13,15H,9-12,14H2,(H,28,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001 BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055884
(CHEMBL3317900)Show SMILES CCC(=O)N1CCN(CC1)C(=O)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C21H22N4O3S/c1-2-19(26)24-7-9-25(10-8-24)21(28)14-11-15(29-13-14)12-18-16-5-3-4-6-17(16)20(27)23-22-18/h3-6,11,13H,2,7-10,12H2,1H3,(H,23,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001 BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27566
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001 BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055886
(CHEMBL3317906)Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(cc1)C#N)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C26H21N5O3S/c27-15-17-5-7-18(8-6-17)25(33)30-9-11-31(12-10-30)26(34)19-13-20(35-16-19)14-23-21-3-1-2-4-22(21)24(32)29-28-23/h1-8,13,16H,9-12,14H2,(H,29,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001 BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055885
(CHEMBL3317902)Show SMILES COc1ccc(CC(=O)N2CCN(CC2)C(=O)c2csc(Cc3n[nH]c(=O)c4ccccc34)c2)cc1 Show InChI InChI=1S/C27H26N4O4S/c1-35-20-8-6-18(7-9-20)14-25(32)30-10-12-31(13-11-30)27(34)19-15-21(36-17-19)16-24-22-4-2-3-5-23(22)26(33)29-28-24/h2-9,15,17H,10-14,16H2,1H3,(H,29,33) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001 BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055865
(CHEMBL3317897)Show SMILES O=C(C1CC1)N1CCN(CC1)C(=O)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C22H22N4O3S/c27-20-18-4-2-1-3-17(18)19(23-24-20)12-16-11-15(13-30-16)22(29)26-9-7-25(8-10-26)21(28)14-5-6-14/h1-4,11,13-14H,5-10,12H2,(H,24,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001 BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055888
(CHEMBL3317916)Show SMILES O=C(N1CCN(CC1)C(=O)c1ccncc1)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C24H21N5O3S/c30-22-20-4-2-1-3-19(20)21(26-27-22)14-18-13-17(15-33-18)24(32)29-11-9-28(10-12-29)23(31)16-5-7-25-8-6-16/h1-8,13,15H,9-12,14H2,(H,27,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001 BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055883
(CHEMBL3317899)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C20H20N4O3S/c1-13(25)23-6-8-24(9-7-23)20(27)14-10-15(28-12-14)11-18-16-4-2-3-5-17(16)19(26)22-21-18/h2-5,10,12H,6-9,11H2,1H3,(H,22,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001 BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50070942
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated at 37 degC for 16 hrs by thioflavin T fluorescence assay |
J Nat Prod 78: 1221-30 (2015)
Article DOI: 10.1021/np500912t BindingDB Entry DOI: 10.7270/Q2RV0QD4 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50070942
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 757 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay |
Bioorg Med Chem Lett 22: 1408-14 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50567350
(CHEMBL4875025)Show SMILES [H][C@@]12C[C@]3([H])[C@]([H])(CC[C@]4(C)C(=C[C@H](OC(C)=O)[C@]34O)[C@H](C)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@@]3(C)C(=O)C=C[C@H](OC(=O)CCCC(=O)Nc4ccc(N5CCOCC5)c(F)c4)[C@@]13O2 |r,c:11,39,t:28| | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human GLS1 |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112980 BindingDB Entry DOI: 10.7270/Q2RX9GTQ |
More data for this Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50091061
(CHEMBL3582132)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@H](O)C1=C2C(=O)c2occ3c2[C@]1(C)CCC3=O |r,c:12| Show InChI InChI=1S/C20H20O5/c1-19-6-5-11(21)9-8-25-18(15(9)19)17(24)14-10-3-4-13(23)20(10,2)7-12(22)16(14)19/h8,10,12,22H,3-7H2,1-2H3/t10-,12-,19-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated at 37 degC for 16 hrs by thioflavin T fluorescence assay |
J Nat Prod 78: 1221-30 (2015)
Article DOI: 10.1021/np500912t BindingDB Entry DOI: 10.7270/Q2RV0QD4 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50070942
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of BACE1 using Rh-EVNLDAEFK-Quencher as substrate |
Bioorg Med Chem Lett 22: 1408-14 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50364303
(CHEMBL1952315)Show SMILES OCCN(CCO)c1ccc(NC(=O)c2cnc3cc(Cl)cc(Cl)c3c2O)cc1 Show InChI InChI=1S/C20H19Cl2N3O4/c21-12-9-16(22)18-17(10-12)23-11-15(19(18)28)20(29)24-13-1-3-14(4-2-13)25(5-7-26)6-8-27/h1-4,9-11,26-27H,5-8H2,(H,23,28)(H,24,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay |
Bioorg Med Chem Lett 22: 1408-14 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50364304
(CHEMBL1952316)Show SMILES CSc1ccc2c(O)c(cnc2c1)C(=O)Nc1ccc(cc1)N(CCO)CCO Show InChI InChI=1S/C21H23N3O4S/c1-29-16-6-7-17-19(12-16)22-13-18(20(17)27)21(28)23-14-2-4-15(5-3-14)24(8-10-25)9-11-26/h2-7,12-13,25-26H,8-11H2,1H3,(H,22,27)(H,23,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay |
Bioorg Med Chem Lett 22: 1408-14 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50364305
(CHEMBL1952317)Show SMILES CSc1cccc2c(O)c(cnc12)C(=O)Nc1ccc(cc1)N(CCO)CCO Show InChI InChI=1S/C21H23N3O4S/c1-29-18-4-2-3-16-19(18)22-13-17(20(16)27)21(28)23-14-5-7-15(8-6-14)24(9-11-25)10-12-26/h2-8,13,25-26H,9-12H2,1H3,(H,22,27)(H,23,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay |
Bioorg Med Chem Lett 22: 1408-14 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50400050
(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 4.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human GLS1 |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112980 BindingDB Entry DOI: 10.7270/Q2RX9GTQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50091060
(CHEMBL3582130)Show SMILES C[C@]12[C@@H](O)C[C@H](O)c3coc(c13)C(=O)c1c3CCC(=O)c3ccc21 |r| Show InChI InChI=1S/C19H16O5/c1-19-11-4-2-8-9(3-5-12(8)20)15(11)17(23)18-16(19)10(7-24-18)13(21)6-14(19)22/h2,4,7,13-14,21-22H,3,5-6H2,1H3/t13-,14-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated at 37 degC for 16 hrs by thioflavin T fluorescence assay |
J Nat Prod 78: 1221-30 (2015)
Article DOI: 10.1021/np500912t BindingDB Entry DOI: 10.7270/Q2RV0QD4 |
More data for this Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50296231
(CHEMBL549959 | demethoxyviridin)Show SMILES C[C@]12[C@H](O)CC(=O)c3coc(c13)C(=O)c1c3CCC(=O)c3ccc21 |r| Show InChI InChI=1S/C19H14O5/c1-19-11-4-2-8-9(3-5-12(8)20)15(11)17(23)18-16(19)10(7-24-18)13(21)6-14(19)22/h2,4,7,14,22H,3,5-6H2,1H3/t14-,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated at 37 degC for 16 hrs by thioflavin T fluorescence assay |
J Nat Prod 78: 1221-30 (2015)
Article DOI: 10.1021/np500912t BindingDB Entry DOI: 10.7270/Q2RV0QD4 |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50567351
(CHEMBL4870139)Show SMILES [H][C@@]12C[C@]3([H])[C@]([H])(CC[C@]4(C)C(=C[C@H](OC(C)=O)[C@]34O)[C@H](C)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |r,c:11,39,t:28| | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human GLS1 |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112980 BindingDB Entry DOI: 10.7270/Q2RX9GTQ |
More data for this Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50091057
(CHEMBL3582127)Show SMILES C[C@@]1(O)c2c(CCCO)coc2C(=O)c2c3CCC(=O)c3ccc12 |r| Show InChI InChI=1S/C19H18O5/c1-19(23)13-6-4-11-12(5-7-14(11)21)15(13)17(22)18-16(19)10(9-24-18)3-2-8-20/h4,6,9,20,23H,2-3,5,7-8H2,1H3/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated at 37 degC for 16 hrs by thioflavin T fluorescence assay |
J Nat Prod 78: 1221-30 (2015)
Article DOI: 10.1021/np500912t BindingDB Entry DOI: 10.7270/Q2RV0QD4 |
More data for this Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50091058
(CHEMBL3582128)Show SMILES C[C@@]1(O)c2c(CCO)coc2C(=O)c2c3CCC(=O)c3ccc12 |r| Show InChI InChI=1S/C18H16O5/c1-18(22)12-4-2-10-11(3-5-13(10)20)14(12)16(21)17-15(18)9(6-7-19)8-23-17/h2,4,8,19,22H,3,5-7H2,1H3/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated at 37 degC for 16 hrs by thioflavin T fluorescence assay |
J Nat Prod 78: 1221-30 (2015)
Article DOI: 10.1021/np500912t BindingDB Entry DOI: 10.7270/Q2RV0QD4 |
More data for this Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50091055
(CHEMBL3582133)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)[C@H](O)CC1=C2C(=O)c2occ3[C@@H](O)CC[C@@]1(C)c23 |r,c:12| Show InChI InChI=1S/C20H22O5/c1-19-6-5-12(21)9-8-25-18(16(9)19)17(24)15-10-3-4-13(22)20(10,2)14(23)7-11(15)19/h8,10,12,14,21,23H,3-7H2,1-2H3/t10-,12-,14+,19+,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated at 37 degC for 16 hrs by thioflavin T fluorescence assay |
J Nat Prod 78: 1221-30 (2015)
Article DOI: 10.1021/np500912t BindingDB Entry DOI: 10.7270/Q2RV0QD4 |
More data for this Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50091059
(CHEMBL3582129)Show SMILES C[C@]1(O)c2c(coc2C(=O)c2c3CCC(=O)c3ccc12)[C@@H](O)CCO |r| Show InChI InChI=1S/C19H18O6/c1-19(24)12-4-2-9-10(3-5-13(9)21)15(12)17(23)18-16(19)11(8-25-18)14(22)6-7-20/h2,4,8,14,20,22,24H,3,5-7H2,1H3/t14-,19+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated at 37 degC for 16 hrs by thioflavin T fluorescence assay |
J Nat Prod 78: 1221-30 (2015)
Article DOI: 10.1021/np500912t BindingDB Entry DOI: 10.7270/Q2RV0QD4 |
More data for this Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50091056
(CHEMBL3582126)Show SMILES C[C@@]1(O)c2c(coc2C(=O)c2c3CCC(=O)c3ccc12)[C@@H](O)CCO |r| Show InChI InChI=1S/C19H18O6/c1-19(24)12-4-2-9-10(3-5-13(9)21)15(12)17(23)18-16(19)11(8-25-18)14(22)6-7-20/h2,4,8,14,20,22,24H,3,5-7H2,1H3/t14-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated at 37 degC for 16 hrs by thioflavin T fluorescence assay |
J Nat Prod 78: 1221-30 (2015)
Article DOI: 10.1021/np500912t BindingDB Entry DOI: 10.7270/Q2RV0QD4 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16034
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of BACE1 expressed in HEK293T cells co-transfected APP with NFEV mutation at proteolytic site assessed as amyloid EV40 secretion |
Bioorg Med Chem Lett 22: 1408-14 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |