Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50032148 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 1
(Homo sapiens (Human)) | BDBM17786
((4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-...)Show SMILES CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38| Show InChI InChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33)/t29-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of human BACE1 |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM17786
((4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-...)Show SMILES CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38| Show InChI InChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33)/t29-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324922
((3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(...)Show SMILES CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324922
((3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(...)Show SMILES CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of human BACE1 |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50324922
((3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(...)Show SMILES CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50324922
((3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(...)Show SMILES CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of human BACE2 |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324926
((S)-3-(2-Amino-5-chloro-benzoimidazol-1-yl)-pentan...)Show SMILES CC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n1c(N)nc2cc(Cl)ccc12 |r,wU:2.19,TLB:16:15:13:9.10.11,6:7:9.16.10:14.12.13,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11,(3.24,-6.55,;4.57,-5.76,;5.9,-6.53,;7.23,-5.74,;8.57,-6.5,;8.58,-8.04,;9.9,-5.72,;11.24,-6.48,;12.43,-5.2,;13.76,-5.68,;15.16,-5.34,;15.17,-3.81,;13.77,-3.24,;12.43,-3.71,;12.73,-4.46,;12.74,-6.06,;14.14,-6.61,;5.92,-8.07,;6.83,-9.32,;8.37,-9.32,;5.92,-10.58,;4.44,-10.1,;3.11,-10.87,;1.78,-10.1,;.44,-10.87,;1.78,-8.56,;3.11,-7.78,;4.44,-8.55,)| Show InChI InChI=1S/C22H29ClN4O/c1-2-17(27-19-4-3-16(23)10-18(19)25-22(27)24)11-20(28)26-21-14-6-12-5-13(8-14)9-15(21)7-12/h3-4,10,12-15,17,21H,2,5-9,11H2,1H3,(H2,24,25)(H,26,28)/t12?,13?,14?,15?,17-,21?/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324903
(4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cycloh...)Show InChI InChI=1S/C18H25ClN4O/c1-22(14-6-3-2-4-7-14)17(24)8-5-11-23-16-10-9-13(19)12-15(16)21-18(23)20/h9-10,12,14H,2-8,11H2,1H3,(H2,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cathepsin D
(Homo sapiens (Human)) | BDBM50324922
((3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(...)Show SMILES CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of cathepsin D |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324934
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC(C)C[C@@H](CC(=O)NCc1cccc(F)c1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C21H24ClFN4O/c1-13(2)8-17(11-20(28)25-12-14-4-3-5-16(23)9-14)27-19-7-6-15(22)10-18(19)26-21(27)24/h3-7,9-10,13,17H,8,11-12H2,1-2H3,(H2,24,26)(H,25,28)/t17-/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 | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324913
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(c...)Show InChI InChI=1S/C19H27ClN4O/c1-23(13-14-6-3-2-4-7-14)18(25)8-5-11-24-17-10-9-15(20)12-16(17)22-19(24)21/h9-10,12,14H,2-8,11,13H2,1H3,(H2,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324915
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC[C@@H](CC(=O)NCc1ccccc1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H21ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h3-10,15H,2,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/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 | 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324931
((R)-methyl 2-((S)-3-(2-amino-5-chloro-1H-benzo[d]i...)Show SMILES CC[C@@H](CC(=O)N[C@H](COC(C)(C)C)C(=O)OC)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C20H29ClN4O4/c1-6-13(25-16-8-7-12(21)9-14(16)24-19(25)22)10-17(26)23-15(18(27)28-5)11-29-20(2,3)4/h7-9,13,15H,6,10-11H2,1-5H3,(H2,22,24)(H,23,26)/t13-,15+/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 | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324908
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(c...)Show InChI InChI=1S/C18H25ClN4O/c19-14-8-9-16-15(11-14)22-18(20)23(16)10-4-7-17(24)21-12-13-5-2-1-3-6-13/h8-9,11,13H,1-7,10,12H2,(H2,20,22)(H,21,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324932
((S)-2-((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol...)Show SMILES CC[C@@H](CC(=O)N[C@@H](COC(C)(C)C)C(O)=O)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H27ClN4O4/c1-5-12(24-15-7-6-11(20)8-13(15)23-18(24)21)9-16(25)22-14(17(26)27)10-28-19(2,3)4/h6-8,12,14H,5,9-10H2,1-4H3,(H2,21,23)(H,22,25)(H,26,27)/t12-,14-/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 | 8.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324927
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC[C@@H](CC(=O)NCCC(C)(C)C)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C18H27ClN4O/c1-5-13(11-16(24)21-9-8-18(2,3)4)23-15-7-6-12(19)10-14(15)22-17(23)20/h6-7,10,13H,5,8-9,11H2,1-4H3,(H2,20,22)(H,21,24)/t13-/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 | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324930
((S)-methyl 2-((S)-3-(2-amino-5-chloro-1H-benzo[d]i...)Show SMILES CC[C@@H](CC(=O)N[C@@H](COC(C)(C)C)C(=O)OC)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C20H29ClN4O4/c1-6-13(25-16-8-7-12(21)9-14(16)24-19(25)22)10-17(26)23-15(18(27)28-5)11-29-20(2,3)4/h7-9,13,15H,6,10-11H2,1-5H3,(H2,22,24)(H,23,26)/t13-,15-/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 | 1.68E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324904
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-is...)Show InChI InChI=1S/C14H19ClN4O/c1-9(2)17-13(20)4-3-7-19-12-6-5-10(15)8-11(12)18-14(19)16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,18)(H,17,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.93E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324912
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(3...)Show SMILES CN(Cc1cccc(F)c1)C(=O)CCCn1c(N)nc2cc(Cl)ccc12 Show InChI InChI=1S/C19H20ClFN4O/c1-24(12-13-4-2-5-15(21)10-13)18(26)6-3-9-25-17-8-7-14(20)11-16(17)23-19(25)22/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H2,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324933
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC(C)C[C@@H](CC(=O)NCc1ccccn1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C20H24ClN5O/c1-13(2)9-16(11-19(27)24-12-15-5-3-4-8-23-15)26-18-7-6-14(21)10-17(18)25-20(26)22/h3-8,10,13,16H,9,11-12H2,1-2H3,(H2,22,25)(H,24,27)/t16-/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 | 2.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324920
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC[C@@H](CC(=O)NCC1CC1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C16H21ClN4O/c1-2-12(8-15(22)19-9-10-3-4-10)21-14-6-5-11(17)7-13(14)20-16(21)18/h5-7,10,12H,2-4,8-9H2,1H3,(H2,18,20)(H,19,22)/t12-/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 | 2.43E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324917
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC(C)C[C@@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C17H25ClN4O/c1-10(2)7-13(9-16(23)20-11(3)4)22-15-6-5-12(18)8-14(15)21-17(22)19/h5-6,8,10-11,13H,7,9H2,1-4H3,(H2,19,21)(H,20,23)/t13-/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 | 2.46E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324910
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(3...)Show InChI InChI=1S/C18H18ClFN4O/c19-13-6-7-16-15(10-13)23-18(21)24(16)8-2-5-17(25)22-11-12-3-1-4-14(20)9-12/h1,3-4,6-7,9-10H,2,5,8,11H2,(H2,21,23)(H,22,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.49E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324929
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC[C@@H](CC(=O)NCc1ccc(F)cc1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H20ClFN4O/c1-2-15(10-18(26)23-11-12-3-6-14(21)7-4-12)25-17-8-5-13(20)9-16(17)24-19(25)22/h3-9,15H,2,10-11H2,1H3,(H2,22,24)(H,23,26)/t15-/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 | 2.64E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324921
((3S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)...)Show SMILES CC[C@@H](CC(=O)NCCC1CCNC1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C18H26ClN5O/c1-2-14(10-17(25)22-8-6-12-5-7-21-11-12)24-16-4-3-13(19)9-15(16)23-18(24)20/h3-4,9,12,14,21H,2,5-8,10-11H2,1H3,(H2,20,23)(H,22,25)/t12?,14-/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 | 2.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324909
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(1...)Show InChI InChI=1S/C17H24ClN5O/c1-22-9-6-13(7-10-22)20-16(24)3-2-8-23-15-5-4-12(18)11-14(15)21-17(23)19/h4-5,11,13H,2-3,6-10H2,1H3,(H2,19,21)(H,20,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324928
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC[C@@H](CC(=O)NCc1cccc(F)c1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H20ClFN4O/c1-2-15(10-18(26)23-11-12-4-3-5-14(21)8-12)25-17-7-6-13(20)9-16(17)24-19(25)22/h3-9,15H,2,10-11H2,1H3,(H2,22,24)(H,23,26)/t15-/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 | 3.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324923
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC[C@@H](CC(=O)N(C)CC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C20H29ClN4O/c1-3-16(12-19(26)24(2)13-14-7-5-4-6-8-14)25-18-10-9-15(21)11-17(18)23-20(25)22/h9-11,14,16H,3-8,12-13H2,1-2H3,(H2,22,23)/t16-/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 | 3.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324907
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(p...)Show InChI InChI=1S/C17H18ClN5O/c18-12-6-7-15-14(10-12)22-17(19)23(15)9-3-5-16(24)21-11-13-4-1-2-8-20-13/h1-2,4,6-8,10H,3,5,9,11H2,(H2,19,22)(H,21,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324919
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC[C@@H](CC(=O)NCCN1CCOCC1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C18H26ClN5O2/c1-2-14(12-17(25)21-5-6-23-7-9-26-10-8-23)24-16-4-3-13(19)11-15(16)22-18(24)20/h3-4,11,14H,2,5-10,12H2,1H3,(H2,20,22)(H,21,25)/t14-/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 | 4.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324906
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(2...)Show InChI InChI=1S/C17H24ClN5O/c18-13-3-4-15-14(10-13)22-17(19)23(15)9-1-2-16(24)21-8-6-12-5-7-20-11-12/h3-4,10,12,20H,1-2,5-9,11H2,(H2,19,22)(H,21,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324914
((R)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC[C@H](CC(=O)NCc1ccccc1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H21ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h3-10,15H,2,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/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 | 5.16E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324918
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC[C@@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C15H21ClN4O/c1-4-11(8-14(21)18-9(2)3)20-13-6-5-10(16)7-12(13)19-15(20)17/h5-7,9,11H,4,8H2,1-3H3,(H2,17,19)(H,18,21)/t11-/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 | 6.95E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM31794
(2-aminobenzimidazole deriv., 4 | 5-Chloro-1H-benzo...)Show InChI InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.31E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324898
(3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-...)Show InChI InChI=1S/C10H12ClN3O/c11-7-2-3-9-8(6-7)13-10(12)14(9)4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
| MMDB PDB Article PubMed
| n/a | n/a | 7.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324901
(2,2-dihydroxy-1H-indene-1,3(2H)-dione | CHEMBL1221...)Show InChI InChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 7.76E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324905
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(2...)Show InChI InChI=1S/C17H24ClN5O2/c18-13-3-4-15-14(12-13)21-17(19)23(15)6-1-2-16(24)20-5-7-22-8-10-25-11-9-22/h3-4,12H,1-2,5-11H2,(H2,19,21)(H,20,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.27E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324899
(3-(3-chlorophenyl)imidazo[1,2-a]pyrimidine | CHEMB...)Show InChI InChI=1S/C12H8ClN3/c13-10-4-1-3-9(7-10)11-8-15-12-14-5-2-6-16(11)12/h1-8H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.62E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324897
(1-methoxy-2-phenyl-1H-imidazo[4,5-b]pyridine | CHE...)Show InChI InChI=1S/C13H11N3O/c1-17-16-11-8-5-9-14-12(11)15-13(16)10-6-3-2-4-7-10/h2-9H,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 9.28E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324925
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC[C@@H](CC(=O)NCc1ccccn1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C18H20ClN5O/c1-2-14(10-17(25)22-11-13-5-3-4-8-21-13)24-16-7-6-12(19)9-15(16)23-18(24)20/h3-9,14H,2,10-11H2,1H3,(H2,20,23)(H,22,25)/t14-/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 | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324924
((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC[C@@H](CC(=O)NCC1CCOCC1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C18H25ClN4O2/c1-2-14(10-17(24)21-11-12-5-7-25-8-6-12)23-16-4-3-13(19)9-15(16)22-18(23)20/h3-4,9,12,14H,2,5-8,10-11H2,1H3,(H2,20,22)(H,21,24)/t14-/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 | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324916
((R)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...)Show SMILES CC(C)C[C@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C17H25ClN4O/c1-10(2)7-13(9-16(23)20-11(3)4)22-15-6-5-12(18)8-14(15)21-17(22)19/h5-6,8,10-11,13H,7,9H2,1-4H3,(H2,19,21)(H,20,23)/t13-/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 | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324900
(3-(pyridin-4-yl)imidazo[1,2-a]pyrimidine | CHEMBL1...)Show InChI InChI=1S/C11H8N4/c1-4-13-11-14-8-10(15(11)7-1)9-2-5-12-6-3-9/h1-8H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.01E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324902
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-be...)Show InChI InChI=1S/C18H19ClN4O/c19-14-8-9-16-15(11-14)22-18(20)23(16)10-4-7-17(24)21-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H2,20,22)(H,21,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50324911
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(c...)Show InChI InChI=1S/C15H19ClN4O/c16-11-5-6-13-12(8-11)19-15(17)20(13)7-1-2-14(21)18-9-10-3-4-10/h5-6,8,10H,1-4,7,9H2,(H2,17,19)(H,18,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.85E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd
Curated by ChEMBL
| Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay |
Bioorg Med Chem Lett 20: 5329-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 |
More data for this Ligand-Target Pair | |