Found 1552 hits with Last Name = 'lagiakos' and Initial = 'hr' 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 |
|---|
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM50518833
(CHEMBL4528993 | US10829446, Compound 45)Show SMILES Fc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H14FN3O3S/c19-15-11-13(17-8-4-5-9-20-17)10-14(12-15)18(23)21-22-26(24,25)16-6-2-1-3-7-16/h1-12,22H,(H,21,23) | PDB
UniProtKB/SwissProt
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 |
Cancer Therapeutics CRC
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ... |
J Med Chem 62: 7146-7159 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00665
BindingDB Entry DOI: 10.7270/Q26D5XCM |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM50527224
(CHEMBL4468833 | US10829446, Compound 48)Show SMILES COc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C19H16FN3O4S/c1-27-15-11-13(17-7-4-5-9-21-17)10-14(12-15)19(24)22-23-28(25,26)18-8-3-2-6-16(18)20/h2-12,23H,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ... |
J Med Chem 63: 4655-4684 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM50527244
(CHEMBL4437798 | US10829446, Compound 105)Show SMILES Fc1ccccc1S(=O)(=O)NNC(=O)c1cc(Cl)cc(c1)-c1ccco1 Show InChI InChI=1S/C17H12ClFN2O4S/c18-13-9-11(15-5-3-7-25-15)8-12(10-13)17(22)20-21-26(23,24)16-6-2-1-4-14(16)19/h1-10,21H,(H,20,22) | PDB
UniProtKB/SwissProt
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 |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ... |
J Med Chem 63: 4655-4684 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM50527381
(CHEMBL4466823 | US10829446, Compound 41)Show SMILES Fc1ccccc1S(=O)(=O)NNC(=O)c1cccc(c1)-c1ccccn1 Show InChI InChI=1S/C18H14FN3O3S/c19-15-8-1-2-10-17(15)26(24,25)22-21-18(23)14-7-5-6-13(12-14)16-9-3-4-11-20-16/h1-12,22H,(H,21,23) | PDB
UniProtKB/SwissProt
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 |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ... |
J Med Chem 63: 4655-4684 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM50527355
(CHEMBL4456585 | US10829446, Compound 46)Show SMILES Fc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H13F2N3O3S/c19-14-10-12(16-6-3-4-8-21-16)9-13(11-14)18(24)22-23-27(25,26)17-7-2-1-5-15(17)20/h1-11,23H,(H,22,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ... |
J Med Chem 63: 4655-4684 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM50527250
(CHEMBL4475883 | US10829446, Compound 67)Show SMILES Cc1ccn(n1)-c1cc(C)cc(c1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H17FN4O3S/c1-12-9-14(11-15(10-12)23-8-7-13(2)21-23)18(24)20-22-27(25,26)17-6-4-3-5-16(17)19/h3-11,22H,1-2H3,(H,20,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ... |
J Med Chem 63: 4655-4684 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM50527298
(CHEMBL4571483 | US10829446, Compound 152)Show SMILES Cc1cc(cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F)-c1ccco1 Show InChI InChI=1S/C18H15FN2O4S/c1-12-10-13(16-8-5-9-25-16)11-15(17(12)19)18(22)20-21-26(23,24)14-6-3-2-4-7-14/h2-11,21H,1H3,(H,20,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
MONASH UNIVERSITY; The Walter and Eliza Hall Institute of Medical Research
US Patent
| Assay Description
Active Moz protein was expressed as N-terminal fusion protein with a His6 tag in BL21 E. coli cells. Protein purification was performed via nickel-im... |
US Patent US10829446 (2020)
BindingDB Entry DOI: 10.7270/Q25M68S8 |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM50527238
(CHEMBL4539384 | US10829446, Compound 42)Show SMILES Cc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C19H16FN3O3S/c1-13-10-14(17-7-4-5-9-21-17)12-15(11-13)19(24)22-23-27(25,26)18-8-3-2-6-16(18)20/h2-12,23H,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ... |
J Med Chem 63: 4655-4684 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM50518832
(CHEMBL4455897 | US10829446, Compound 36)Show SMILES Cc1cc(cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F)-c1ccccc1 Show InChI InChI=1S/C20H17FN2O3S/c1-14-12-16(15-8-4-2-5-9-15)13-18(19(14)21)20(24)22-23-27(25,26)17-10-6-3-7-11-17/h2-13,23H,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Therapeutics CRC
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ... |
J Med Chem 62: 7146-7159 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00665
BindingDB Entry DOI: 10.7270/Q26D5XCM |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM50527328
(CHEMBL4441439 | US10829446, Compound 49)Show SMILES Cc1cc(cc(c1)-c1ncccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H15FN4O3S/c1-12-9-13(17-20-7-4-8-21-17)11-14(10-12)18(24)22-23-27(25,26)16-6-3-2-5-15(16)19/h2-11,23H,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ... |
J Med Chem 63: 4655-4684 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM50527245
(CHEMBL4521125 | US10829446, Compound 89)Show SMILES Fc1cc(cc(c1)-n1nccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C15H11F2N5O3S/c16-11-7-10(8-12(9-11)22-18-5-6-19-22)15(23)20-21-26(24,25)14-4-2-1-3-13(14)17/h1-9,21H,(H,20,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ... |
J Med Chem 63: 4655-4684 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM50527225
(CHEMBL4565790 | US10829446, Compound 101)Show SMILES Fc1cc(cc(c1)-c1ccco1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C17H12F2N2O4S/c18-13-9-11(15-5-3-7-25-15)8-12(10-13)17(22)20-21-26(23,24)16-6-2-1-4-14(16)19/h1-10,21H,(H,20,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ... |
J Med Chem 63: 4655-4684 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645842
((R)—N-(6-(1H-1,2,3-triazol-1-yl)-5-(trifluoro...)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(c(c2)C(F)(F)F)-n2ccnn2)c2cnc3cc(Cl)nn3c12)C(F)(F)F |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM50527243
(CHEMBL4458272 | US10829446, Compound 153)Show SMILES Cc1cc(cc(c1)-c1ccco1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H15FN2O4S/c1-12-9-13(16-6-4-8-25-16)11-14(10-12)18(22)20-21-26(23,24)17-7-3-2-5-15(17)19/h2-11,21H,1H3,(H,20,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
MONASH UNIVERSITY; The Walter and Eliza Hall Institute of Medical Research
US Patent
| Assay Description
Active Moz protein was expressed as N-terminal fusion protein with a His6 tag in BL21 E. coli cells. Protein purification was performed via nickel-im... |
US Patent US10829446 (2020)
BindingDB Entry DOI: 10.7270/Q25M68S8 |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM471919
(US10829446, Compound 154)Show SMILES Cc1cc(c(F)c(C(=O)NNS(=O)(=O)c2ccccc2)c1F)-c1ccccc1 Show InChI InChI=1S/C20H16F2N2O3S/c1-13-12-16(14-8-4-2-5-9-14)19(22)17(18(13)21)20(25)23-24-28(26,27)15-10-6-3-7-11-15/h2-12,24H,1H3,(H,23,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
MONASH UNIVERSITY; The Walter and Eliza Hall Institute of Medical Research
US Patent
| Assay Description
Active Moz protein was expressed as N-terminal fusion protein with a His6 tag in BL21 E. coli cells. Protein purification was performed via nickel-im... |
US Patent US10829446 (2020)
BindingDB Entry DOI: 10.7270/Q25M68S8 |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645934
(Step 1: tert-butyl 2-chloro-3-fluoro-8-methyl-8-(t...)Show SMILES CO[C@]1(CN(C(=O)Nc2cnc(c(Cl)c2)-n2nccn2)c2cnc3cc(Cl)nn3c12)C(F)(F)F |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645938
(US20240018157, Example 140)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(c(Cl)c2)-n2nccn2)c2cnc3c(F)c(F)nn3c12)C(F)(F)F |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645944
(Step 1: tert-butyl 3-fluoro-8-methyl-8-(trifluorom...)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(c(Cl)c2)-n2nccn2)c2cnc3c(F)cnn3c12)C(F)(F)F |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645947
((R)-2-chloro-N-(5-(difluoromethyl)-6-(ethyl(methyl...)Show SMILES CCN(C)C(=O)c1ncc(NC(=O)N2C[C@](C)(c3c2cnc2cc(Cl)nn32)C(F)(F)F)cc1C(F)F |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645948
((R)-2-chloro-N-(6-(cyclopropylcarbamoyl)-5-(difluo...)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(C(=O)NC3CC3)c(c2)C(F)F)c2cnc3cc(Cl)nn3c12)C(F)(F)F |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645949
(US20240018157, Example 151)Show SMILES CN(C1CC1)C(=O)c1ncc(NC(=O)N2C[C@](C)(c3c2cnc2cc(Cl)nn32)C(F)(F)F)cc1C(F)F |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645950
(Step 1: 3-chloro-5-isocyanato-2-(2H-1,2,3-triazol-...)Show SMILES Cc1cn2ncc3N(C[C@](C)(c3c2n1)C(F)(F)F)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645979
((R)—N-(6-(2H-1,2,3-triazol-2-yl)-5-(trifluoro...)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(c(c2)C(F)(F)F)-n2nccn2)c2cnc3cc(F)nn3c12)C(F)(F)F |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645989
((8R)—N-(5-(difluoromethyl)-6-(4-(1-hydroxyeth...)Show SMILES CC(O)c1cnn(n1)-c1ncc(NC(=O)N2C[C@](C)(c3c2cnc2cc(F)nn32)C(F)(F)F)cc1C(F)F |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT6A [507-778]
(Homo sapiens) | BDBM50518831
(CHEMBL4464835 | US10829446, Compound 35)Show SMILES Fc1c(Cl)cc(cc1C(=O)NNS(=O)(=O)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H14ClFN2O3S/c20-17-12-14(13-7-3-1-4-8-13)11-16(18(17)21)19(24)22-23-27(25,26)15-9-5-2-6-10-15/h1-12,23H,(H,22,24) | PDB
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Cancer Therapeutics CRC
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ... |
J Med Chem 62: 7146-7159 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00665
BindingDB Entry DOI: 10.7270/Q26D5XCM |
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645846
((R)—N-(6-(4-((tert-butyldimethylsilyl)oxy)-1H...)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(c(Cl)c2)-n2cc(O)cn2)c2cnc3cc(Cl)nn3c12)C(F)(F)F |r| | PDB
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Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645847
((R)-2-chloro-N-(5-chloro-6-(difluoromethoxy)pyridi...)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(OC(F)F)c(Cl)c2)c2cnc3cc(Cl)nn3c12)C(F)(F)F |r| | PDB
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Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645850
((R)-2-chloro-N-(5-chloro-2-methoxy-6-(2H-1,2,3-tri...)Show SMILES COc1nc(N\N=C/C=N)c(Cl)cc1NC(=O)N1C[C@](C)(c2c1cnc1cc(Cl)nn21)C(F)(F)F |r| | PDB
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Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645855
(US20240018157, Example 57)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(c(Cl)c2)-n2cc(CO)cn2)c2cnc3cc(Cl)nn3c12)C(F)(F)F |r| | PDB
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Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645858
(US20240018157, Example 60)Show SMILES C[C@]1(CN(C(=O)Nc2ccnc(c2)C(F)F)c2cnc3cc(Cl)nn3c12)C(F)(F)F |r| | PDB
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Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645861
(US20240018157, Example 63)Show SMILES COc1c(Cl)cc(NC(=O)N2C[C@](C)(c3c2cnc2cc(Cl)nn32)C(F)(F)F)nc1O[C@H]1CCNC1 |r| | PDB
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Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645864
(US20240018157, Example 66)Show SMILES COc1cnc(cc1NC(=O)N1C[C@](C)(c2c1cnc1cc(Cl)nn21)C(F)(F)F)C(F)(F)F |r| | PDB
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Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645868
(Step 1: 2-(4-bromo-2H-1,2,3-triazol-2-yl)-3-chloro...)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(c(Cl)c2)-n2ncc(n2)[C@H](O)CO)c2cnc3cc(Cl)nn3c12)C(F)(F)F |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645869
(US20240018157, Example 71)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(c(Cl)c2)-n2ncc(n2)[C@@H](O)CO)c2cnc3cc(Cl)nn3c12)C(F)(F)F |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645874
(Step 1: 2-(5-((tert-butoxycarbonyl)amino)-3-chloro...)Show SMILES C[C@H](O)c1cnn(n1)-c1ncc(NC(=O)N2C[C@](C)(c3c2cnc2cc(Cl)nn32)C(F)(F)F)cc1Cl |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645875
(US20240018157, Example 77)Show SMILES C[C@@H](O)c1cnn(n1)-c1ncc(NC(=O)N2C[C@](C)(c3c2cnc2cc(Cl)nn32)C(F)(F)F)cc1Cl |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645877
((R)-2-chloro-N-(5-chloro-6-(4-(methoxymethyl)-2H-1...)Show SMILES COCc1cnn(n1)-c1ncc(NC(=O)N2C[C@](C)(c3c2cnc2cc(Cl)nn32)C(F)(F)F)cc1Cl |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645881
((R)-2-chloro-N-(2-((dimethyl(oxo)-λ6-sulfaney...)Show SMILES C[C@]1(CN(C(=O)Nc2cc(N=S(C)(C)=O)nc(c2)C(F)(F)F)c2cnc3cc(Cl)nn3c12)C(F)(F)F |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645883
((R)-2-chloro-N-(5-chloro-6-((dimethyl(oxo)-λ6...)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(N=S(C)(C)=O)c(Cl)c2)c2cnc3cc(Cl)nn3c12)C(F)(F)F |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645884
(Step 1: 3-chloro-2-hydrazinyl-5-nitropyridine | US...)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(c(c2)C#N)-n2nccc2Cl)c2cnc3cc(Cl)nn3c12)C(F)(F)F | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645885
(US20240018157, Example 87)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(c(c2)C#N)-n2nccc2C#N)c2cnc3cc(Cl)nn3c12)C(F)(F)F | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645889
(US20240018157, Example 91)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(c(c2)C#N)-n2nccn2)c2cnc3cc(F)nn3c12)C(F)(F)F |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645890
(US20240018157, Example 92)Show SMILES COc1cnn(n1)-c1ncc(NC(=O)N2C[C@](C)(c3c2cnc2cc(Cl)nn32)C(F)(F)F)cc1Cl |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645895
(US20240018157, Example 97)Show SMILES COC[C@]1(CN(C(=O)Nc2cnc(c(Cl)c2)-n2nccn2)c2cnc3cc(Cl)nn3c12)C(F)(F)F |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645902
(Step 1: N-(5-(difluoromethyl)-6-(2H-1,2,3-triazol-...)Show SMILES C[C@]1(CN(C(=O)Nc2cnc(c(c2)C(F)F)-n2nccn2)c2cnc3cc(F)nn3c12)C(F)(F)F |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645914
(Step 1: 2-(difluoromethyl)-1-fluoro-4-nitrobenzene...)Show SMILES C[S@](=O)c1ccc(NC(=O)N2C[C@](C)(c3c2cnc2cc(Cl)nn32)C(F)(F)F)cc1C(F)F |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645920
((R)-2-chloro-N-(5-(difluoromethyl)-6-(dimethylcarb...)Show SMILES CN(C)C(=O)c1ncc(NC(=O)N2C[C@](C)(c3c2cnc2cc(Cl)nn32)C(F)(F)F)cc1C(F)F |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645923
((R)-2-fluoro-8-methyl-N-(5-methyl-6-(2H-1,2,3-tria...)Show SMILES Cc1cc(NC(=O)N2C[C@](C)(c3c2cnc2cc(F)nn32)C(F)(F)F)cnc1-n1nccn1 |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645924
(Step 1: Mixture of methyl 2-(5-bromo-3-(difluorome...)Show SMILES C[C@H](O)c1cnn(n1)-c1ncc(NC(=O)N2C[C@](C)(c3c2cnc2cc(Cl)nn32)C(F)(F)F)cc1C(F)F |r| | PDB
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Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM645925
(US20240018157, Example 127)Show SMILES C[C@@H](O)c1cnn(n1)-c1ncc(NC(=O)N2C[C@](C)(c3c2cnc2cc(Cl)nn32)C(F)(F)F)cc1C(F)F |r| | PDB
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