BDBM50218722 3-(3-methoxy-4-nitro-phenyl)-5,10-dihydro-dibenzo[b,e][1,4]-diazepin-11-one::3-(3-methoxy-4-nitro-phenyl)-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one::3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one::CHEMBL389816
SMILES: COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccccc3NC2=O)c1
InChI Key: InChIKey=FYNVJEWGKOWZIY-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 3 hits for monomerid = 50218722 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50218722
(3-(3-methoxy-4-nitro-phenyl)-5,10-dihydro-dibenzo[...)Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccccc3NC2=O)c1 Show InChI InChI=1S/C20H15N3O4/c1-27-19-11-13(7-9-18(19)23(25)26)12-6-8-14-17(10-12)21-15-4-2-3-5-16(15)22-20(14)24/h2-11,21H,1H3,(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
J Med Chem 52: 3159-65 (2009)
Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50218722
(3-(3-methoxy-4-nitro-phenyl)-5,10-dihydro-dibenzo[...)Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccccc3NC2=O)c1 Show InChI InChI=1S/C20H15N3O4/c1-27-19-11-13(7-9-18(19)23(25)26)12-6-8-14-17(10-12)21-15-4-2-3-5-16(15)22-20(14)24/h2-11,21H,1H3,(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Chk1 |
J Med Chem 50: 4162-76 (2007)
Article DOI: 10.1021/jm070105d BindingDB Entry DOI: 10.7270/Q22J6BKS |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50218722
(3-(3-methoxy-4-nitro-phenyl)-5,10-dihydro-dibenzo[...)Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccccc3NC2=O)c1 Show InChI InChI=1S/C20H15N3O4/c1-27-19-11-13(7-9-18(19)23(25)26)12-6-8-14-17(10-12)21-15-4-2-3-5-16(15)22-20(14)24/h2-11,21H,1H3,(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of recombinant Chk1 |
Bioorg Med Chem Lett 18: 2311-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.080 BindingDB Entry DOI: 10.7270/Q2XG9S16 |
More data for this Ligand-Target Pair | 3D Structure (docked) |