Found 19 hits of Enzyme Inhibition Constant Data 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 |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50092471
(CHEMBL3586130)Show SMILES Cl.NC1=NC2CCC(CC2CS1)NC(=O)c1cccc(Cl)c1 |t:1| Show InChI InChI=1S/C15H18ClN3OS/c16-11-3-1-2-9(6-11)14(20)18-12-4-5-13-10(7-12)8-21-15(17)19-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,19)(H,18,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 497 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human BACE2 |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50092468
(CHEMBL3586133)Show SMILES OC(=O)C(F)(F)F.NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1 |t:7| Show InChI InChI=1S/C15H17ClN2O2S/c16-11-3-1-2-9(6-11)14(19)20-12-4-5-13-10(7-12)8-21-15(17)18-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 584 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human BACE2 |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50092468
(CHEMBL3586133)Show SMILES OC(=O)C(F)(F)F.NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1 |t:7| Show InChI InChI=1S/C15H17ClN2O2S/c16-11-3-1-2-9(6-11)14(19)20-12-4-5-13-10(7-12)8-21-15(17)18-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 761 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human BACE1 by mcaFRET assay |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50092470
(CHEMBL3586131)Show SMILES Cl.[H][C@@]12COC[C@]3(CC[C@@H](C[C@]13[H])NC(=O)c1cccc(Cl)c1)N=C(N)S2 |r,t:25| Show InChI InChI=1S/C17H20ClN3O2S/c18-11-3-1-2-10(6-11)15(22)20-12-4-5-17-9-23-8-14(13(17)7-12)24-16(19)21-17/h1-3,6,12-14H,4-5,7-9H2,(H2,19,21)(H,20,22)/t12-,13+,14+,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human BACE2 |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50092471
(CHEMBL3586130)Show SMILES Cl.NC1=NC2CCC(CC2CS1)NC(=O)c1cccc(Cl)c1 |t:1| Show InChI InChI=1S/C15H18ClN3OS/c16-11-3-1-2-9(6-11)14(20)18-12-4-5-13-10(7-12)8-21-15(17)19-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,19)(H,18,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human BACE1 by mcaFRET assay |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50092470
(CHEMBL3586131)Show SMILES Cl.[H][C@@]12COC[C@]3(CC[C@@H](C[C@]13[H])NC(=O)c1cccc(Cl)c1)N=C(N)S2 |r,t:25| Show InChI InChI=1S/C17H20ClN3O2S/c18-11-3-1-2-10(6-11)15(22)20-12-4-5-17-9-23-8-14(13(17)7-12)24-16(19)21-17/h1-3,6,12-14H,4-5,7-9H2,(H2,19,21)(H,20,22)/t12-,13+,14+,17-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human BACE1 by mcaFRET assay |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50092472
(CHEMBL3586138)Show InChI InChI=1S/C15H19N3OS/c16-15-18-13-7-6-12(8-11(13)9-20-15)17-14(19)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H2,16,18)(H,17,19) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human BACE2 |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50092472
(CHEMBL3586138)Show InChI InChI=1S/C15H19N3OS/c16-15-18-13-7-6-12(8-11(13)9-20-15)17-14(19)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H2,16,18)(H,17,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human BACE1 by mcaFRET assay |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50092469
(CHEMBL3586132)Show SMILES Cl.NC1=NC23COCC2(CS1)CC(CC3)NC(=O)c1cccc(Cl)c1 |t:1| Show InChI InChI=1S/C17H20ClN3O2S/c18-12-3-1-2-11(6-12)14(22)20-13-4-5-17-9-23-8-16(17,7-13)10-24-15(19)21-17/h1-3,6,13H,4-5,7-10H2,(H2,19,21)(H,20,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human BACE2 |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50092467
(CHEMBL3586137)Show SMILES Cl.NC1=NC2CCC(CC2CS1)NC(=O)c1ccc(F)cn1 |t:1| Show InChI InChI=1S/C14H17FN4OS/c15-9-1-3-12(17-6-9)13(20)18-10-2-4-11-8(5-10)7-21-14(16)19-11/h1,3,6,8,10-11H,2,4-5,7H2,(H2,16,19)(H,18,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human BACE2 |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50092469
(CHEMBL3586132)Show SMILES Cl.NC1=NC23COCC2(CS1)CC(CC3)NC(=O)c1cccc(Cl)c1 |t:1| Show InChI InChI=1S/C17H20ClN3O2S/c18-12-3-1-2-11(6-12)14(22)20-13-4-5-17-9-23-8-16(17,7-13)10-24-15(19)21-17/h1-3,6,13H,4-5,7-10H2,(H2,19,21)(H,20,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human BACE1 by mcaFRET assay |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50092467
(CHEMBL3586137)Show SMILES Cl.NC1=NC2CCC(CC2CS1)NC(=O)c1ccc(F)cn1 |t:1| Show InChI InChI=1S/C14H17FN4OS/c15-9-1-3-12(17-6-9)13(20)18-10-2-4-11-8(5-10)7-21-14(16)19-11/h1,3,6,8,10-11H,2,4-5,7H2,(H2,16,19)(H,18,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human BACE1 by mcaFRET assay |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50092468
(CHEMBL3586133)Show SMILES OC(=O)C(F)(F)F.NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1 |t:7| Show InChI InChI=1S/C15H17ClN2O2S/c16-11-3-1-2-9(6-11)14(19)20-12-4-5-13-10(7-12)8-21-15(17)18-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin D |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50092471
(CHEMBL3586130)Show SMILES Cl.NC1=NC2CCC(CC2CS1)NC(=O)c1cccc(Cl)c1 |t:1| Show InChI InChI=1S/C15H18ClN3OS/c16-11-3-1-2-9(6-11)14(20)18-12-4-5-13-10(7-12)8-21-15(17)19-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,19)(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin D |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50092469
(CHEMBL3586132)Show SMILES Cl.NC1=NC23COCC2(CS1)CC(CC3)NC(=O)c1cccc(Cl)c1 |t:1| Show InChI InChI=1S/C17H20ClN3O2S/c18-12-3-1-2-11(6-12)14(22)20-13-4-5-17-9-23-8-16(17,7-13)10-24-15(19)21-17/h1-3,6,13H,4-5,7-10H2,(H2,19,21)(H,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.77E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin D |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50092470
(CHEMBL3586131)Show SMILES Cl.[H][C@@]12COC[C@]3(CC[C@@H](C[C@]13[H])NC(=O)c1cccc(Cl)c1)N=C(N)S2 |r,t:25| Show InChI InChI=1S/C17H20ClN3O2S/c18-11-3-1-2-10(6-11)15(22)20-12-4-5-17-9-23-8-14(13(17)7-12)24-16(19)21-17/h1-3,6,12-14H,4-5,7-9H2,(H2,19,21)(H,20,22)/t12-,13+,14+,17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin D |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50092467
(CHEMBL3586137)Show SMILES Cl.NC1=NC2CCC(CC2CS1)NC(=O)c1ccc(F)cn1 |t:1| Show InChI InChI=1S/C14H17FN4OS/c15-9-1-3-12(17-6-9)13(20)18-10-2-4-11-8(5-10)7-21-14(16)19-11/h1,3,6,8,10-11H,2,4-5,7H2,(H2,16,19)(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin D |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50092472
(CHEMBL3586138)Show InChI InChI=1S/C15H19N3OS/c16-15-18-13-7-6-12(8-11(13)9-20-15)17-14(19)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H2,16,18)(H,17,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.97E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin D |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50092473
(CHEMBL3586134)Show InChI InChI=1S/C8H14N2S/c9-8-10-7-4-2-1-3-6(7)5-11-8/h6-7H,1-5H2,(H2,9,10) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 4.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human BACE1 by mcaFRET assay |
Bioorg Med Chem 23: 3260-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF |
More data for this Ligand-Target Pair | |