Found 160 hits with Last Name = 'willems' and Initial = 'hmg' 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 |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM304727
(3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...)Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r| Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22?/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM304721
(3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...)Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2CC(C)Oc3ccccc3S2(=O)=O)c1 Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM304748
(BDBM304749 | US10144731, Example 34a)Show SMILES COc1cc(cc2nnn(C)c12)[C@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r| Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
(Homo sapiens (Human)) | BDBM50615191
(CHEMBL5271804)Show SMILES CN1C(=O)[C@@H](CC2CCCC2)N(C2CCCC2)c2nc(Nc3cc(Cl)c(O)c(Cl)c3)ncc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM304414
(3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...)Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2CCN(C)c3ccccc3S2(=O)=O)c1 Show InChI InChI=1S/C28H31N5O5S/c1-18-9-10-19(22(16-27(34)35)20-14-23-28(25(15-20)38-4)32(3)30-29-23)13-21(18)17-33-12-11-31(2)24-7-5-6-8-26(24)39(33,36)37/h5-10,13-15,22H,11-12,16-17H2,1-4H3,(H,34,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
(Homo sapiens) | BDBM50615191
(CHEMBL5271804)Show SMILES CN1C(=O)[C@@H](CC2CCCC2)N(C2CCCC2)c2nc(Nc3cc(Cl)c(O)c(Cl)c3)ncc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601802
(CHEMBL5203783)Show SMILES CN(C)C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1c1cn(C)nn1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM304728
(3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...)Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2C[C@H](C)Oc3ccccc3S2(=O)=O)c1 |r| Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22?/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601811
(CHEMBL5189627)Show SMILES CCCC1CCCCN1C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1c1ccccn1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM304768
(3-(3-((1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]o...)Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2CCOc3ccccc3S2(=O)=O)c1 Show InChI InChI=1S/C27H28N4O6S/c1-17-8-9-18(12-20(17)16-31-10-11-37-23-6-4-5-7-25(23)38(31,34)35)21(15-26(32)33)19-13-22-27(24(14-19)36-3)30(2)29-28-22/h4-9,12-14,21H,10-11,15-16H2,1-3H3,(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601805
(CHEMBL5208399)Show SMILES CCC[C@H]1CCCCN1C(=O)c1cccc(c1F)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM304837
(3-(7-methoxy-1-methyl-1H-1,2,3-benzotriazol-5-yl)-...)Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN(C)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C26H28N4O5S/c1-17-10-11-18(12-20(17)16-29(2)36(33,34)21-8-6-5-7-9-21)22(15-25(31)32)19-13-23-26(24(14-19)35-4)30(3)28-27-23/h5-14,22H,15-16H2,1-4H3,(H,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601804
(CHEMBL5176162)Show SMILES OC(=O)c1cnn(c1C1CC1)-c1cccc(c1)-c1cccc(C(=O)N2CCCCC2)c1F | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50521640
(CHEMBL4473977)Show SMILES CN(Cc1cc(ccc1C)C(CC(O)=O)c1ccc2n(C)nnc2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H26N4O4S/c1-17-9-10-18(13-20(17)16-28(2)34(32,33)21-7-5-4-6-8-21)22(15-25(30)31)19-11-12-24-23(14-19)26-27-29(24)3/h4-14,22H,15-16H2,1-3H3,(H,30,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM304770
(3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...)Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1cccc(CN2CC(C)Oc3ccccc3S2(=O)=O)c1 Show InChI InChI=1S/C27H28N4O6S/c1-17-15-31(38(34,35)25-10-5-4-9-23(25)37-17)16-18-7-6-8-19(11-18)21(14-26(32)33)20-12-22-27(24(13-20)36-3)30(2)29-28-22/h4-13,17,21H,14-16H2,1-3H3,(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
(Homo sapiens) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB
| n/a | n/a | 208 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601809
(CHEMBL5175068)Show SMILES CCCC1CCCCN1C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1c1cccnc1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 221 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601808
(CHEMBL5207900)Show SMILES CCCC1CCCCN1C(=O)C1CCCC(C1)c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601806
(CHEMBL5204388)Show SMILES CN(C)C(=O)[C@H]1CCC[C@H](C1)c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM304720
(3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...)Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2C(C)COc3ccccc3S2(=O)=O)c1 Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)15-32-18(2)16-38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601807
(CHEMBL5206413)Show SMILES OC(=O)c1cnn(c1C1CC1)-c1cccc(c1)[C@@H]1CCC[C@@H](C1)C(=O)N1CCCCC1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM304985
(3-{4-chloro-3-[(N-methyl-1,5-dimethyl-1H-pyrazole-...)Show SMILES CN(Cc1cc(ccc1Cl)C(CC(O)=O)c1ccc2n(C)nnc2c1)S(=O)(=O)c1cnn(C)c1C Show InChI InChI=1S/C23H25ClN6O4S/c1-14-22(12-25-29(14)3)35(33,34)28(2)13-17-9-15(5-7-19(17)24)18(11-23(31)32)16-6-8-21-20(10-16)26-27-30(21)4/h5-10,12,18H,11,13H2,1-4H3,(H,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601801
(CHEMBL5169432)Show SMILES CN(C)C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601793
(CHEMBL5178836)Show SMILES CN(C)C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C(F)(F)F | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM304984
(3-{4-chloro-3-[(N-methylpyridine-3-sulfonamido)met...)Show SMILES CN(Cc1cc(ccc1Cl)C(CC(O)=O)c1ccc2n(C)nnc2c1)S(=O)(=O)c1cccnc1 Show InChI InChI=1S/C23H22ClN5O4S/c1-28(34(32,33)18-4-3-9-25-13-18)14-17-10-15(5-7-20(17)24)19(12-23(30)31)16-6-8-22-21(11-16)26-27-29(22)2/h3-11,13,19H,12,14H2,1-2H3,(H,30,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma
(Homo sapiens (Human)) | BDBM50584991
(CHEMBL5077987)Show SMILES FC(F)(F)c1ccccc1-c1nc(NCc2ccccn2)c2cccnc2n1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to ePL-tagged wild type PI5P4Kgamma (unknown origin) expressed in HEK293 cells incubated for 60 mins by InCell pulse thermal stabili... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01819 BindingDB Entry DOI: 10.7270/Q2SQ9493 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma
(Homo sapiens (Human)) | BDBM50584985
(CHEMBL5083265) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to ePL-tagged wild type PI5P4Kgamma (unknown origin) expressed in HEK293 cells incubated for 60 mins by InCell pulse thermal stabili... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01819 BindingDB Entry DOI: 10.7270/Q2SQ9493 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma
(Homo sapiens (Human)) | BDBM50584990
(CHEMBL5077419) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to ePL-tagged wild type PI5P4Kgamma (unknown origin) expressed in HEK293 cells incubated for 60 mins by InCell pulse thermal stabili... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01819 BindingDB Entry DOI: 10.7270/Q2SQ9493 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma
(Homo sapiens (Human)) | BDBM50584992
(CHEMBL5085734) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to ePL-tagged wild type PI5P4Kgamma (unknown origin) expressed in HEK293 cells incubated for 60 mins by InCell pulse thermal stabili... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01819 BindingDB Entry DOI: 10.7270/Q2SQ9493 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
(Homo sapiens) | BDBM50511422
(CHEMBL4446338)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2cc(ncn2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C31H29N7O2/c1-38(2)16-6-11-30(39)36-22-14-12-21(13-15-22)31(40)37-24-8-5-7-23(17-24)35-29-18-28(33-20-34-29)26-19-32-27-10-4-3-9-25(26)27/h3-15,17-20,32H,16H2,1-2H3,(H,36,39)(H,37,40)(H,33,34,35)/b11-6+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601797
(CHEMBL5191287)Show SMILES CN(C)C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CCCC1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601804
(CHEMBL5176162)Show SMILES OC(=O)c1cnn(c1C1CC1)-c1cccc(c1)-c1cccc(C(=O)N2CCCCC2)c1F | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601788
(CHEMBL5195110)Show SMILES CN(C)C(=O)c1cccc(c1)-c1cccc(n1)-n1ncc(C(O)=O)c1C(F)(F)F | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601806
(CHEMBL5204388)Show SMILES CN(C)C(=O)[C@H]1CCC[C@H](C1)c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601801
(CHEMBL5169432)Show SMILES CN(C)C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601810
(CHEMBL5202293)Show SMILES CN(CC1CC1)C(=O)c1cccc(c1F)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601803
(CHEMBL5200409)Show SMILES CN(C)C(=O)c1cccc(-c2cccc(c2)-n2ncc(C(O)=O)c2C2CC2)c1F | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601802
(CHEMBL5203783)Show SMILES CN(C)C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1c1cn(C)nn1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
(Homo sapiens) | BDBM50585011
(CHEMBL5094080) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| 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 |
TBA
| Assay Description Inhibition of PI5P4Kalpha (unknown origin) by ADP-Glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01819 BindingDB Entry DOI: 10.7270/Q2SQ9493 |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601798
(CHEMBL5171689)Show SMILES CN(C)C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CCCCC1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
(Homo sapiens) | BDBM50615192
(CHEMBL4284012) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma
(Homo sapiens (Human)) | BDBM50584993
(CHEMBL5092753) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to ePL-tagged wild type PI5P4Kgamma (unknown origin) expressed in HEK293 cells incubated for 60 mins by InCell pulse thermal stabili... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01819 BindingDB Entry DOI: 10.7270/Q2SQ9493 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
(Homo sapiens) | BDBM50527929
(CHEMBL4455633)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cncc(c1)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C20H17N3O2S/c1-26(24,25)23-17-7-5-14(6-8-17)15-11-16(13-21-12-15)18-3-2-4-20-19(18)9-10-22-20/h2-13,22-23H,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of PI5P4Kalpha (unknown origin) by bioluminescent assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01819 BindingDB Entry DOI: 10.7270/Q2SQ9493 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma
(Homo sapiens (Human)) | BDBM50497347
(CHEMBL1529478)Show InChI InChI=1S/C20H14F3N3S/c21-20(22,23)16-9-3-1-7-14(16)19-25-17-10-4-2-8-15(17)18(26-19)24-12-13-6-5-11-27-13/h1-11H,12H2,(H,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of GST-fused human recombinant PI5P4Kgamma expressed in Escherichia coli BL21 (DE3) using dipalmitoyl-PI5P and [gamma-32P]ATP as substrate... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01819 BindingDB Entry DOI: 10.7270/Q2SQ9493 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
(Homo sapiens) | BDBM60983
((E)-2-(3,4-dihydroxybenzoyl)-3-(4-hydroxy-3-iodo-5...)Show SMILES COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O Show InChI InChI=1S/C17H12INO5/c1-24-15-6-9(5-12(18)17(15)23)4-11(8-19)16(22)10-2-3-13(20)14(21)7-10/h2-7,20-21,23H,1H3/b11-4+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601800
(CHEMBL5208759)Show SMILES CN(C)C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1-c1cccnc1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
(Homo sapiens (Human)) | BDBM50511409
(Imanixil)Show SMILES CC1(C)CN(C(=O)N1)c1ncc(C(=O)Nc2cccc(c2)C(F)(F)F)c(N)n1 Show InChI InChI=1S/C17H17F3N6O2/c1-16(2)8-26(15(28)25-16)14-22-7-11(12(21)24-14)13(27)23-10-5-3-4-9(6-10)17(18,19)20/h3-7H,8H2,1-2H3,(H,23,27)(H,25,28)(H2,21,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM304970
(3-(4-chloro-3-((N-methylcyclohexanesulfonamido)met...)Show SMILES CN(Cc1cc(ccc1Cl)C(CC(O)=O)c1ccc2n(C)nnc2c1)S(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C24H29ClN4O4S/c1-28(34(32,33)19-6-4-3-5-7-19)15-18-12-16(8-10-21(18)25)20(14-24(30)31)17-9-11-23-22(13-17)26-27-29(23)2/h8-13,19-20H,3-7,14-15H2,1-2H3,(H,30,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma
(Homo sapiens (Human)) | BDBM50584989
(CHEMBL5084764) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to ePL-tagged wild type PI5P4Kgamma (unknown origin) expressed in HEK293 cells incubated for 60 mins by InCell pulse thermal stabili... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01819 BindingDB Entry DOI: 10.7270/Q2SQ9493 |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50601799
(CHEMBL5173394)Show SMILES CN(C)C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CCN(CC1)C(C)=O | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01351 BindingDB Entry DOI: 10.7270/Q2JS9VJF |
More data for this Ligand-Target Pair | |