Found 31 hits Enz. Inhib. hit(s) with Target = 'ATPase family AAA domain-containing protein 2B' 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 |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50098311
(CHEMBL3590408)Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to ATAD2B (unknown origin) by BROMOscan panel based assay |
J Med Chem 58: 6151-78 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1 |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50504159
(CHEMBL4583297)Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1 Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
Cellzome
Curated by ChEMBL
| Assay Description Displacement of biotinylated H4 peptide from ATAD2B bromodomain (unknown origin) by TR-FRET assay |
J Med Chem 62: 7506-7525 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00673 BindingDB Entry DOI: 10.7270/Q22R3VZV |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | <3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human ATAD2B by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of human ATAD2B expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583 BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of human ATAD2B expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583 BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50514857
(CHEMBL4449894)Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)ccc1Br |r| Show InChI InChI=1S/C20H25BrN4O5S/c1-12-7-8-24(10-12)31(29,30)16-9-14(5-6-15(16)21)22-17(26)11-25-18(27)20(2,13-3-4-13)23-19(25)28/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H,22,26)(H,23,28)/t12-,20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 63: 5212-5241 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00021 BindingDB Entry DOI: 10.7270/Q2RN3C7T |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM249277
(US10017501, Compound 1020-18 | US9458145, 1020-18)Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)| Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system after 1 hr by bromoscan assay |
Bioorg Med Chem 27: 457-469 (2019)
Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6 |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50539801
(CHEMBL4648912 | US11840533, Compound 70)Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 63: 7186-7210 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50560174
(GSK789)Show SMILES CN1CC[C@@H](Nc2ncc(-c3ccco3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)C(=O)NC1CCCCC1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00614 BindingDB Entry DOI: 10.7270/Q27D2ZVG |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50547685
(CHEMBL4751427)Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4.25E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50547686
(CHEMBL4786330)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50547687
(CHEMBL4750026)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4.80E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50547688
(CHEMBL4751374)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.16E+6 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50547689
(CHEMBL4762063)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 5.05E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50547690
(CHEMBL4795500)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6.85E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50547691
(CHEMBL4792431)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.81E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50547692
(CHEMBL4748520)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.87E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50547693
(CHEMBL4794843)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.44E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50547694
(CHEMBL4748267)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.57E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50547695
(CHEMBL4762443)Show SMILES CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.14E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50098305
(CHEMBL3590405)Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 167 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50584925
(CHEMBL5079885)Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11| | PDB
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UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human ATAD2B bromodomain assessed as dissociation constant by BROMOscan method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8 |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | CHEMBL5282240
| PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM321437
((E)-6-(but-2-en-1-yl)-4-(4-(2-hydroxypropan-2-yl)-...)Show SMILES COc1cc(c(OC)cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(C)(C)O Show InChI InChI=1S/C23H28N2O4/c1-7-8-9-25-13-17(16-10-14(2)24-21(16)22(25)26)15-11-20(29-6)18(23(3,4)27)12-19(15)28-5/h7-8,10-13,24,27H,9H2,1-6H3/b8-7+ | PDB
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UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | CHEMBL5270178
| PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50366670
(CHEMBL4173488)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)| Show InChI InChI=1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28) | PDB
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Similars
| Article PubMed
| n/a | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOScan assay |
J Med Chem 61: 6110-6120 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00483 BindingDB Entry DOI: 10.7270/Q26M39B1 |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50453949
(CHEMBL4208820 | US11247989, Example 87)Show SMILES CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1 Show InChI InChI=1S/C29H30N6O3/c1-18(36)34-11-8-27-24(17-34)28(33-35(27)21-9-12-38-13-10-21)22-5-3-4-19-14-26(32-16-23(19)22)20-6-7-25(31-15-20)29(37)30-2/h3-7,14-16,21H,8-13,17H2,1-2H3,(H,30,37) | PDB
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025 BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM179481
(US9675697, Cpd. No. 73)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)| Show InChI InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30) | PDB
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| Article PubMed
| n/a | n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 60: 3887-3901 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00193 BindingDB Entry DOI: 10.7270/Q28W3GWN |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50098311
(CHEMBL3590408)Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r| | PDB
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UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to ATAD2B in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay |
J Med Chem 58: 6151-78 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1 |
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM321424
(6-[(E)-but-2-enyl]-4-[2,5-dimethoxy-4-(morpholine-...)Show SMILES COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12 Show InChI InChI=1S/C25H29N3O5/c1-5-6-7-28-15-20(18-12-16(2)26-23(18)25(28)30)17-13-22(32-4)19(14-21(17)31-3)24(29)27-8-10-33-11-9-27/h5-6,12-15,26H,7-11H2,1-4H3/b6-5+ | PDB
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MCE PC cid PC sid UniChem
| | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50092310
(CHEMBL3581661 | US9675697, Cpd. No. 23)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)| Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28) | PDB
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Similars
| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to biotinylated ATAD2B (953 to 1086 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometr... |
J Med Chem 58: 4927-39 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK |
More data for this Ligand-Target Pair | |