Found 11 hits of Enzyme Inhibition Constant Data 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 |
Serine/threonine-protein kinase Chk2 [209-531,Q209M]
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | 7.5 | 30 |
NIH
| Assay Description NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the con... |
Mol Pharmacol 72: 876-84 (2007)
Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2 [209-531,Q209M]
(Homo sapiens (Human)) | BDBM34064
(2-arylbenzimidazole | CHEMBL179583)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | 7.5 | 30 |
NIH
| Assay Description NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the con... |
Mol Pharmacol 72: 876-84 (2007)
Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk2 [209-531,Q209M]
(Homo sapiens (Human)) | BDBM34063
(DDUG | NSC 109555 | diacetyldiphenylurea bisguanyl...)Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1ccc(-[#7]-[#6](=O)-[#7]-c2ccc(cc2)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7])cc1 |w:2.2,23.24| Show InChI InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.2 | 23 |
NIH
| Assay Description The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm... |
Mol Pharmacol 72: 876-84 (2007)
Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk2 [209-531,Q209M]
(Homo sapiens (Human)) | BDBM34063
(DDUG | NSC 109555 | diacetyldiphenylurea bisguanyl...)Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1ccc(-[#7]-[#6](=O)-[#7]-c2ccc(cc2)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7])cc1 |w:2.2,23.24| Show InChI InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | 7.5 | 30 |
NIH
| Assay Description NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the con... |
Mol Pharmacol 72: 876-84 (2007)
Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk2 [209-531,Q209M]
(Homo sapiens (Human)) | BDBM16591
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | 7.5 | 30 |
NIH
| Assay Description NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the con... |
Mol Pharmacol 72: 876-84 (2007)
Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Serine/threonine-protein kinase Chk2 [209-531,Q209M]
(Homo sapiens (Human)) | BDBM34067
(NSC 67931)Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1ccc(cc1)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7] |w:2.2,15.16| Show InChI InChI=1S/C12H18N8/c1-7(17-19-11(13)14)9-3-5-10(6-4-9)8(2)18-20-12(15)16/h3-6H,1-2H3,(H4,13,14,19)(H4,15,16,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | 7.2 | 23 |
NIH
| Assay Description The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm... |
Mol Pharmacol 72: 876-84 (2007)
Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Serine/threonine-protein kinase Chk2 [209-531,Q209M]
(Homo sapiens (Human)) | BDBM34066
(NSC 177941)Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1cccc(-[#7]-[#6](=S)-[#7]-c2cccc(c2)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7])c1 |w:2.2,24.25| Show InChI InChI=1S/C19H24N10S/c1-11(26-28-17(20)21)13-5-3-7-15(9-13)24-19(30)25-16-8-4-6-14(10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | 7.2 | 23 |
NIH
| Assay Description The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm... |
Mol Pharmacol 72: 876-84 (2007)
Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Serine/threonine-protein kinase Chk2 [209-531,Q209M]
(Homo sapiens (Human)) | BDBM34070
(NSC 377844)Show InChI InChI=1S/C11H15N5OS/c1-7(15-16-10(12)18)8-3-5-9(6-4-8)14-11(17)13-2/h3-6H,1-2H3,(H3,12,16,18)(H2,13,14,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | 7.2 | 23 |
NIH
| Assay Description The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm... |
Mol Pharmacol 72: 876-84 (2007)
Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Serine/threonine-protein kinase Chk2 [209-531,Q209M]
(Homo sapiens (Human)) | BDBM34068
(NSC 69432 (MGBG))Show SMILES [#6]-[#6](-[#6]=[#7]\[#7]=[#6](/[#7])-[#7])=[#7]-[#7]-[#6](-[#7])=[#7] |w:8.8,2.1| Show InChI InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | 7.2 | 23 |
NIH
| Assay Description The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm... |
Mol Pharmacol 72: 876-84 (2007)
Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2 [209-531,Q209M]
(Homo sapiens (Human)) | BDBM34065
(NSC 177944)Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1cccc(-[#7]-[#6](=O)-[#7]-c2cccc(c2)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7])c1 |w:2.2,24.25| Show InChI InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-5-3-7-15(9-13)24-19(30)25-16-8-4-6-14(10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | 7.2 | 23 |
NIH
| Assay Description The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm... |
Mol Pharmacol 72: 876-84 (2007)
Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Serine/threonine-protein kinase Chk2 [209-531,Q209M]
(Homo sapiens (Human)) | BDBM34069
(NSC 177940)Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1ccc(-[#7]-[#6](=S)-[#7]-c2ccccc2)cc1 |w:2.2| Show InChI InChI=1S/C16H18N6S/c1-11(21-22-15(17)18)12-7-9-14(10-8-12)20-16(23)19-13-5-3-2-4-6-13/h2-10H,1H3,(H4,17,18,22)(H2,19,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | 7.2 | 23 |
NIH
| Assay Description The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm... |
Mol Pharmacol 72: 876-84 (2007)
Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q |
More data for this Ligand-Target Pair | 3D Structure (docked) |