Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50040674 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 |
|---|
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50398203
(CHEMBL2181533)Show SMILES CN(C)c1ccc(\C=C\C=C\c2cc(\C=C\C=C\c3ccc(cc3)N(C)C)ncn2)cc1 Show InChI InChI=1S/C28H30N4/c1-31(2)27-17-13-23(14-18-27)9-5-7-11-25-21-26(30-22-29-25)12-8-6-10-24-15-19-28(20-16-24)32(3)4/h5-22H,1-4H3/b9-5+,10-6+,11-7+,12-8+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description
Displacement of thiazene red from tau aggregate |
J Med Chem 55: 9170-80 (2012)
Article DOI: 10.1021/jm300653b
BindingDB Entry DOI: 10.7270/Q2PC33HQ |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50398204
(CHEMBL2181532)Show SMILES C1CCN(C1)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N3CCCC3)ncn2)cc1 Show InChI InChI=1S/C28H30N4/c1-2-18-31(17-1)27-13-7-23(8-14-27)5-11-25-21-26(30-22-29-25)12-6-24-9-15-28(16-10-24)32-19-3-4-20-32/h5-16,21-22H,1-4,17-20H2/b11-5+,12-6+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description
Displacement of thiazene red from tau aggregate |
J Med Chem 55: 9170-80 (2012)
Article DOI: 10.1021/jm300653b
BindingDB Entry DOI: 10.7270/Q2PC33HQ |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50398207
(CHEMBL2181045)Show SMILES CN(C)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N(C)C)ncn2)cc1 Show InChI InChI=1S/C24H26N4/c1-27(2)23-13-7-19(8-14-23)5-11-21-17-22(26-18-25-21)12-6-20-9-15-24(16-10-20)28(3)4/h5-18H,1-4H3/b11-5+,12-6+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description
Displacement of thiazene red from tau aggregate |
J Med Chem 55: 9170-80 (2012)
Article DOI: 10.1021/jm300653b
BindingDB Entry DOI: 10.7270/Q2PC33HQ |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50398209
(CHEMBL2181041)Show SMILES C1CN(CCO1)c1ccc(\C=C\c2cnc(\C=C\c3ccc(cc3)N3CCOCC3)cn2)cc1 Show InChI InChI=1S/C28H30N4O2/c1(23-3-9-27(10-4-23)31-13-17-33-18-14-31)7-25-21-30-26(22-29-25)8-2-24-5-11-28(12-6-24)32-15-19-34-20-16-32/h1-12,21-22H,13-20H2/b7-1+,8-2+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description
Displacement of thiazene red from tau aggregate |
J Med Chem 55: 9170-80 (2012)
Article DOI: 10.1021/jm300653b
BindingDB Entry DOI: 10.7270/Q2PC33HQ |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50398210
(CHEMBL2181039)Show SMILES COc1ccc(\C=C\c2cnc(\C=C\c3ccc(OC)cc3)cn2)cc1 Show InChI InChI=1S/C22H20N2O2/c1-25-21-11-5-17(6-12-21)3-9-19-15-24-20(16-23-19)10-4-18-7-13-22(26-2)14-8-18/h3-16H,1-2H3/b9-3+,10-4+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description
Displacement of thiazene red from tau aggregate |
J Med Chem 55: 9170-80 (2012)
Article DOI: 10.1021/jm300653b
BindingDB Entry DOI: 10.7270/Q2PC33HQ |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50398205
(CHEMBL2181531)Show SMILES C1CCN(CC1)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N3CCCCC3)ncn2)cc1 Show InChI InChI=1S/C30H34N4/c1-3-19-33(20-4-1)29-15-9-25(10-16-29)7-13-27-23-28(32-24-31-27)14-8-26-11-17-30(18-12-26)34-21-5-2-6-22-34/h7-18,23-24H,1-6,19-22H2/b13-7+,14-8+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description
Displacement of thiazene red from tau aggregate |
J Med Chem 55: 9170-80 (2012)
Article DOI: 10.1021/jm300653b
BindingDB Entry DOI: 10.7270/Q2PC33HQ |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50398208
(CHEMBL2181042)Show SMILES CN1CCN(CC1)c1ccc(\C=C\c2cnc(\C=C\c3ccc(cc3)N3CCN(C)CC3)cn2)cc1 Show InChI InChI=1S/C30H36N6/c1-33-15-19-35(20-16-33)29-11-5-25(6-12-29)3-9-27-23-32-28(24-31-27)10-4-26-7-13-30(14-8-26)36-21-17-34(2)18-22-36/h3-14,23-24H,15-22H2,1-2H3/b9-3+,10-4+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description
Displacement of thiazene red from tau aggregate |
J Med Chem 55: 9170-80 (2012)
Article DOI: 10.1021/jm300653b
BindingDB Entry DOI: 10.7270/Q2PC33HQ |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50398211
(CHEMBL2181036)Show SMILES COc1cc(\C=C\c2ccc(O)cc2)ccc1\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C23H20O3/c1-26-23-16-19(3-2-17-6-12-21(24)13-7-17)5-11-20(23)10-4-18-8-14-22(25)15-9-18/h2-16,24-25H,1H3/b3-2+,10-4+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 246 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description
Displacement of thiazene red from tau aggregate |
J Med Chem 55: 9170-80 (2012)
Article DOI: 10.1021/jm300653b
BindingDB Entry DOI: 10.7270/Q2PC33HQ |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50398200
(CHEMBL2181538)Show SMILES CN(C)c1ccc(\C=C\c2cc(c(\C=C\c3ccc(cc3)N(C)C)nn2)-c2ccccc2F)cc1 Show InChI InChI=1S/C30H29FN4/c1-34(2)25-16-10-22(11-17-25)9-15-24-21-28(27-7-5-6-8-29(27)31)30(33-32-24)20-14-23-12-18-26(19-13-23)35(3)4/h5-21H,1-4H3/b15-9+,20-14+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description
Displacement of thiazene red from tau aggregate |
J Med Chem 55: 9170-80 (2012)
Article DOI: 10.1021/jm300653b
BindingDB Entry DOI: 10.7270/Q2PC33HQ |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50398201
(CHEMBL2181537)Show SMILES COc1ccc(cc1)-c1cc(\C=C\c2ccc(cc2)N(C)C)nnc1\C=C\c1ccc(cc1)N(C)C Show InChI InChI=1S/C31H32N4O/c1-34(2)27-15-7-23(8-16-27)6-14-26-22-30(25-12-19-29(36-5)20-13-25)31(33-32-26)21-11-24-9-17-28(18-10-24)35(3)4/h6-22H,1-5H3/b14-6+,21-11+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description
Displacement of thiazene red from tau aggregate |
J Med Chem 55: 9170-80 (2012)
Article DOI: 10.1021/jm300653b
BindingDB Entry DOI: 10.7270/Q2PC33HQ |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50398202
(CHEMBL2181535)Show SMILES C1CN(CCO1)c1ccc(\C=C\c2cc(c(\C=C\c3ccc(cc3)N3CCOCC3)nn2)-c2ccccc2)cc1 Show InChI InChI=1S/C34H34N4O2/c1-2-4-29(5-3-1)33-26-30(12-6-27-7-13-31(14-8-27)37-18-22-39-23-19-37)35-36-34(33)17-11-28-9-15-32(16-10-28)38-20-24-40-25-21-38/h1-17,26H,18-25H2/b12-6+,17-11+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description
Displacement of thiazene red from tau aggregate |
J Med Chem 55: 9170-80 (2012)
Article DOI: 10.1021/jm300653b
BindingDB Entry DOI: 10.7270/Q2PC33HQ |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50398206
(CHEMBL2181047)Show SMILES CN1CCN(CC1)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N3CCN(C)CC3)ncn2)cc1 Show InChI InChI=1S/C30H36N6/c1-33-15-19-35(20-16-33)29-11-5-25(6-12-29)3-9-27-23-28(32-24-31-27)10-4-26-7-13-30(14-8-26)36-21-17-34(2)18-22-36/h3-14,23-24H,15-22H2,1-2H3/b9-3+,10-4+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description
Displacement of thiazene red from tau aggregate |
J Med Chem 55: 9170-80 (2012)
Article DOI: 10.1021/jm300653b
BindingDB Entry DOI: 10.7270/Q2PC33HQ |
More data for this
Ligand-Target Pair | |
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