Found 357 hits with Last Name = 'van brandt' and Initial = 's' 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 |
|---|
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50583320
(CHEMBL5084378)Show SMILES C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human amyloid beta (1 to 42) in human SKNBE2 cells expressing wild-type amyloid precursor protein hAPP695 incubated for 18 hrs by sandw... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50583322
(CHEMBL5093303)Show SMILES C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:10| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human amyloid beta (1 to 42) in human SKNBE2 cells expressing wild-type amyloid precursor protein hAPP695 incubated for 18 hrs by sandw... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM338837
(US9751886, Compound 2)Show SMILES C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C19H15FN8O/c1-19(10-28-16(9-24-27-28)17(22)26-19)13-6-12(3-4-14(13)20)25-18(29)15-5-2-11(7-21)8-23-15/h2-6,8-9H,10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SKNBE2 cells expressing wild type amyloid precursor protein (APP695) assessed as amyloid beta42 level incubated for 18 h... |
ACS Med Chem Lett 10: 1159-1165 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00181
BindingDB Entry DOI: 10.7270/Q2542RT5 |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50583324
(CHEMBL5082406)Show SMILES C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:10| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human amyloid beta (1 to 42) in human SKNBE2 cells expressing wild-type amyloid precursor protein hAPP695 incubated for 18 hrs by sandw... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50012662
(CHEMBL3261075)Show SMILES C[C@]1(Cn2cccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C21H17FN6O/c1-21(12-28-8-2-3-18(28)19(24)27-21)15-9-14(5-6-16(15)22)26-20(29)17-7-4-13(10-23)11-25-17/h2-9,11H,12H2,1H3,(H2,24,27)(H,26,29)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SKNBE2 cells expressing wild type amyloid precursor protein (APP695) assessed as amyloid beta42 level incubated for 18 h... |
ACS Med Chem Lett 10: 1159-1165 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00181
BindingDB Entry DOI: 10.7270/Q2542RT5 |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50583315
(CHEMBL5074068)Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N |r,c:30| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human amyloid beta (1 to 42) in human SKNBE2 cells expressing wild-type amyloid precursor protein hAPP695 incubated for 18 hrs by sandw... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50583322
(CHEMBL5093303)Show SMILES C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:10| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50583320
(CHEMBL5084378)Show SMILES C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM338837
(US9751886, Compound 2)Show SMILES C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C19H15FN8O/c1-19(10-28-16(9-24-27-28)17(22)26-19)13-6-12(3-4-14(13)20)25-18(29)15-5-2-11(7-21)8-23-15/h2-6,8-9H,10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) |
ACS Med Chem Lett 10: 1159-1165 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00181
BindingDB Entry DOI: 10.7270/Q2542RT5 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 11
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC11 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50502598
(CHEMBL4521954)Show SMILES C[C@]1(Cn2nccc2C(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 |r,c:10| Show InChI InChI=1S/C20H17N7O/c1-20(12-27-17(7-8-24-27)18(22)26-20)14-3-2-4-15(9-14)25-19(28)16-6-5-13(10-21)11-23-16/h2-9,11H,12H2,1H3,(H2,22,26)(H,25,28)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SKNBE2 cells expressing wild type amyloid precursor protein (APP695) assessed as amyloid beta42 level incubated for 18 h... |
ACS Med Chem Lett 10: 1159-1165 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00181
BindingDB Entry DOI: 10.7270/Q2542RT5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50579808
(CHEMBL5081571)Show SMILES C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F)S(C)(=O)=O |r,c:7| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114028
BindingDB Entry DOI: 10.7270/Q2N87FWZ |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50583324
(CHEMBL5082406)Show SMILES C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:10| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50583323
(CHEMBL5077699)Show SMILES C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:10| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human amyloid beta (1 to 42) in human SKNBE2 cells expressing wild-type amyloid precursor protein hAPP695 incubated for 18 hrs by sandw... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50583318
(CHEMBL5075933)Show SMILES C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:10| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50583321
(CHEMBL5085412)Show SMILES C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human amyloid beta (1 to 42) in human SKNBE2 cells expressing wild-type amyloid precursor protein hAPP695 incubated for 18 hrs by sandw... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50583321
(CHEMBL5085412)Show SMILES C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50583315
(CHEMBL5074068)Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N |r,c:30| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50393084
(CHEMBL2152899)Show SMILES C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C21H15FN8O/c1-21(11-30-14(8-24)10-27-19(30)18(25)29-21)15-6-13(3-4-16(15)22)28-20(31)17-5-2-12(7-23)9-26-17/h2-6,9-10H,11H2,1H3,(H2,25,29)(H,28,31)/t21-/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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human amyloid beta (1 to 42) in human SKNBE2 cells expressing wild-type amyloid precursor protein hAPP695 incubated for 18 hrs by sandw... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50131808
(CHEMBL3634341)Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@@H]1F |r,t:22| Show InChI InChI=1S/C18H17ClF2N4O2/c1-9-5-10(19)7-23-15(9)16(26)24-11-3-4-13(20)12(6-11)18(2)17(21)27-8-14(22)25-18/h3-7,17H,8H2,1-2H3,(H2,22,25)(H,24,26)/t17-,18+/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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SKNBE2 cells expressing wild type human APP695 assessed as reduction in amyloid beta-42 production after 18 hrs by sandw... |
J Med Chem 58: 8216-35 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01101
BindingDB Entry DOI: 10.7270/Q2ST7RPR |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50583318
(CHEMBL5075933)Show SMILES C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:10| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human amyloid beta (1 to 42) in human SKNBE2 cells expressing wild-type amyloid precursor protein hAPP695 incubated for 18 hrs by sandw... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50393084
(CHEMBL2152899)Show SMILES C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C21H15FN8O/c1-21(11-30-14(8-24)10-27-19(30)18(25)29-21)15-6-13(3-4-16(15)22)28-20(31)17-5-2-12(7-23)9-26-17/h2-6,9-10H,11H2,1H3,(H2,25,29)(H,28,31)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50583323
(CHEMBL5077699)Show SMILES C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:10| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50502602
(CHEMBL4557890)Show SMILES C[C@]1(Cn2cncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C20H16FN7O/c1-20(10-28-11-24-9-17(28)18(23)27-20)14-6-13(3-4-15(14)21)26-19(29)16-5-2-12(7-22)8-25-16/h2-6,8-9,11H,10H2,1H3,(H2,23,27)(H,26,29)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) |
ACS Med Chem Lett 10: 1159-1165 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00181
BindingDB Entry DOI: 10.7270/Q2542RT5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50602774
(CHEMBL5180053)Show SMILES CN(C)S(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(ccc1F)-c1ccc(F)cn1 |r,c:13| | PDB
MMDB
KEGG
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114028
BindingDB Entry DOI: 10.7270/Q2N87FWZ |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50602775
(CHEMBL5186218)Show SMILES COc1cnc(cn1)-c1ccc(F)c(c1)[C@]1(C)CC[C@](C)(C(N)=N1)S(C)(=O)=O |r,c:24| | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114028
BindingDB Entry DOI: 10.7270/Q2N87FWZ |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50131774
(CHEMBL2403769)Show SMILES C[C@]1(COCC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:6| Show InChI InChI=1S/C17H16ClFN4O2/c1-17(9-25-8-15(20)23-17)12-6-11(3-4-13(12)19)22-16(24)14-5-2-10(18)7-21-14/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SKNBE2 cells expressing wild type human APP695 assessed as reduction in amyloid beta-42 production after 18 hrs by sandw... |
J Med Chem 58: 8216-35 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01101
BindingDB Entry DOI: 10.7270/Q2ST7RPR |
More data for this
Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | NCI pathway
Reactome pathway
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CHEMBL
MCE
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| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC10 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Mus musculus (Mouse)) | BDBM50131773
(CHEMBL3634123)Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 |r,c:26| Show InChI InChI=1S/C17H18FN5O3/c1-17(9-26-8-14(19)23-17)11-5-10(3-4-12(11)18)22-16(24)13-6-21-15(25-2)7-20-13/h3-7H,8-9H2,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in mouse Neuro-2a cells expressing wild type human APP695 assessed as reduction in amyloid beta-42 production after 18 hrs by san... |
J Med Chem 58: 8216-35 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01101
BindingDB Entry DOI: 10.7270/Q2ST7RPR |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50580217
(CHEMBL5093195)Show SMILES Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N |r,c:28| | PDB
MMDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Mus musculus (Mouse)) | BDBM50131774
(CHEMBL2403769)Show SMILES C[C@]1(COCC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:6| Show InChI InChI=1S/C17H16ClFN4O2/c1-17(9-25-8-15(20)23-17)12-6-11(3-4-13(12)19)22-16(24)14-5-2-10(18)7-21-14/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 | PDB
KEGG
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in mouse Neuro-2a cells expressing wild type human APP695 assessed as reduction in amyloid beta-42 production after 18 hrs by san... |
J Med Chem 58: 8216-35 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01101
BindingDB Entry DOI: 10.7270/Q2ST7RPR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | PDB
MMDB
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CHEMBL
MCE
PC cid
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UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC4 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50502598
(CHEMBL4521954)Show SMILES C[C@]1(Cn2nccc2C(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 |r,c:10| Show InChI InChI=1S/C20H17N7O/c1-20(12-27-17(7-8-24-27)18(22)26-20)14-3-2-4-15(9-14)25-19(28)16-6-5-13(10-21)11-23-16/h2-9,11H,12H2,1H3,(H2,22,26)(H,25,28)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) |
ACS Med Chem Lett 10: 1159-1165 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00181
BindingDB Entry DOI: 10.7270/Q2542RT5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50502598
(CHEMBL4521954)Show SMILES C[C@]1(Cn2nccc2C(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 |r,c:10| Show InChI InChI=1S/C20H17N7O/c1-20(12-27-17(7-8-24-27)18(22)26-20)14-3-2-4-15(9-14)25-19(28)16-6-5-13(10-21)11-23-16/h2-9,11H,12H2,1H3,(H2,22,26)(H,25,28)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50580217
(CHEMBL5093195)Show SMILES Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N |r,c:28| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human amyloid beta (1 to 42) in human SKNBE2 cells expressing wild-type amyloid precursor protein hAPP695 incubated for 18 hrs by sandw... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50280451
(CHEMBL4162197)Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1C(F)F |r,t:22| Show InChI InChI=1S/C18H18F3N5O3/c1-18(15(16(20)21)29-8-13(22)26-18)10-5-9(3-4-11(10)19)25-17(27)12-6-24-14(28-2)7-23-12/h3-7,15-16H,8H2,1-2H3,(H2,22,26)(H,25,27)/t15-,18+/m0/s1 | PDB
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KEGG
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antibodypedia
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| PC cid
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UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
Curated by ChEMBL
| Assay Description
In vivo inhibition of leutenising hormone in rats. |
J Med Chem 61: 5292-5303 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00304
BindingDB Entry DOI: 10.7270/Q2J38W46 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50036330
(CHEMBL3353090)Show SMILES COc1cc(Nc2nc(nn2C)-c2ccc(c(OC)c2)-n2cnc(C)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H21F3N6O2/c1-13-11-31(12-26-13)18-6-5-14(7-19(18)33-4)20-28-21(30(2)29-20)27-16-8-15(22(23,24)25)9-17(10-16)32-3/h5-12H,1-4H3,(H,27,28,29) | PDB
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human gamma secretase assessed as reduction in Abeta42 level |
Bioorg Med Chem Lett 24: 5805-13 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.024
BindingDB Entry DOI: 10.7270/Q22V2HRP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50131807
(CHEMBL3634340)Show SMILES C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C17H15ClF2N4O2/c1-17(16(20)26-8-14(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,16H,8H2,1H3,(H2,21,24)(H,23,25)/t16-,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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SKNBE2 cells expressing wild type human APP695 assessed as reduction in amyloid beta-42 production after 18 hrs by sandw... |
J Med Chem 58: 8216-35 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01101
BindingDB Entry DOI: 10.7270/Q2ST7RPR |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50131773
(CHEMBL3634123)Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 |r,c:26| Show InChI InChI=1S/C17H18FN5O3/c1-17(9-26-8-14(19)23-17)11-5-10(3-4-12(11)18)22-16(24)13-6-21-15(25-2)7-20-13/h3-7H,8-9H2,1-2H3,(H2,19,23)(H,22,24)/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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SKNBE2 cells expressing wild type human APP695 assessed as reduction in amyloid beta-42 production after 18 hrs by sandw... |
J Med Chem 58: 8216-35 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01101
BindingDB Entry DOI: 10.7270/Q2ST7RPR |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM338837
(US9751886, Compound 2)Show SMILES C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C19H15FN8O/c1-19(10-28-16(9-24-27-28)17(22)26-19)13-6-12(3-4-14(13)20)25-18(29)15-5-2-11(7-21)8-23-15/h2-6,8-9H,10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 (unknown origin) |
ACS Med Chem Lett 10: 1159-1165 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00181
BindingDB Entry DOI: 10.7270/Q2542RT5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50583319
(CHEMBL5073381)Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2c(cnc2C(N)=N1)C#N |r,c:30| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50602777
(CHEMBL5184228)Show SMILES C[C@]1(CC[C@](C)(C(N)=N1)S(=O)(=O)C(F)(F)F)c1cc(ccc1F)-c1cc2OC(F)(F)Oc2cn1 |r,c:7| | PDB
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KEGG
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| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114028
BindingDB Entry DOI: 10.7270/Q2N87FWZ |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50280423
(CHEMBL4165225)Show SMILES C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-14-23-40(30-21-20-28(35)25-29(30)36)34(41)37-22-13-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
Curated by ChEMBL
| Assay Description
Inhibition of human WIL2/dihydrofolate reductase activity |
J Med Chem 61: 5292-5303 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00304
BindingDB Entry DOI: 10.7270/Q2J38W46 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50502599
(CHEMBL4438397)Show SMILES C[C@]1(Cn2ncnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C19H15FN8O/c1-19(9-28-17(16(22)27-19)24-10-25-28)13-6-12(3-4-14(13)20)26-18(29)15-5-2-11(7-21)8-23-15/h2-6,8,10H,9H2,1H3,(H2,22,27)(H,26,29)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) |
ACS Med Chem Lett 10: 1159-1165 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00181
BindingDB Entry DOI: 10.7270/Q2542RT5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50012662
(CHEMBL3261075)Show SMILES C[C@]1(Cn2cccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C21H17FN6O/c1-21(12-28-8-2-3-18(28)19(24)27-21)15-9-14(5-6-16(15)22)26-20(29)17-7-4-13(10-23)11-25-17/h2-9,11H,12H2,1H3,(H2,24,27)(H,26,29)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) |
ACS Med Chem Lett 10: 1159-1165 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00181
BindingDB Entry DOI: 10.7270/Q2542RT5 |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50583319
(CHEMBL5073381)Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2c(cnc2C(N)=N1)C#N |r,c:30| | PDB
MMDB
Reactome pathway
KEGG
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| Article
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| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human amyloid beta (1 to 42) in human SKNBE2 cells expressing wild-type amyloid precursor protein hAPP695 incubated for 18 hrs by sandw... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00445
BindingDB Entry DOI: 10.7270/Q2GT5S2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50502601
(CHEMBL4525199)Show SMILES C[C@]1(Cn2ccnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C20H16FN7O/c1-20(11-28-7-6-24-18(28)17(23)27-20)14-8-13(3-4-15(14)21)26-19(29)16-5-2-12(9-22)10-25-16/h2-8,10H,11H2,1H3,(H2,23,27)(H,26,29)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SKNBE2 cells expressing wild type amyloid precursor protein (APP695) assessed as amyloid beta42 level incubated for 18 h... |
ACS Med Chem Lett 10: 1159-1165 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00181
BindingDB Entry DOI: 10.7270/Q2542RT5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50280473
(CHEMBL4169060)Show SMILES C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C19H14ClF4N5O2/c1-18(17(19(22,23)24)31-8-14(26)29-18)11-5-10(2-3-13(11)21)28-16(30)15-12(20)4-9(6-25)7-27-15/h2-5,7,17H,8H2,1H3,(H2,26,29)(H,28,30)/t17-,18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
Curated by ChEMBL
| Assay Description
In vivo inhibition of leutenising hormone in rats. |
J Med Chem 61: 5292-5303 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00304
BindingDB Entry DOI: 10.7270/Q2J38W46 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50502596
(CHEMBL4473647)Show SMILES C[C@]1(Cn2cnnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C19H15FN8O/c1-19(9-28-10-24-27-17(28)16(22)26-19)13-6-12(3-4-14(13)20)25-18(29)15-5-2-11(7-21)8-23-15/h2-6,8,10H,9H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SKNBE2 cells expressing wild type amyloid precursor protein (APP695) assessed as amyloid beta42 level incubated for 18 h... |
ACS Med Chem Lett 10: 1159-1165 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00181
BindingDB Entry DOI: 10.7270/Q2542RT5 |
More data for this
Ligand-Target Pair | |
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