BDBM50379629 CHEMBL2013062
SMILES: C1CN(CCN1)c1ccnc(Nc2ncc(s2)-c2cncnc2)c1
InChI Key: InChIKey=MARUNRKQKNXGKR-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50379629 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 |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50379629
(CHEMBL2013062)Show InChI InChI=1S/C16H17N7S/c1-2-20-15(7-13(1)23-5-3-17-4-6-23)22-16-21-10-14(24-16)12-8-18-11-19-9-12/h1-2,7-11,17H,3-6H2,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CDK7 |
Bioorg Med Chem Lett 22: 2613-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.120 BindingDB Entry DOI: 10.7270/Q23B615X |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379629
(CHEMBL2013062)Show InChI InChI=1S/C16H17N7S/c1-2-20-15(7-13(1)23-5-3-17-4-6-23)22-16-21-10-14(24-16)12-8-18-11-19-9-12/h1-2,7-11,17H,3-6H2,(H,20,21,22) | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CHK1 by time resolved fluorescence assay |
Bioorg Med Chem Lett 22: 2613-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.120 BindingDB Entry DOI: 10.7270/Q23B615X |
More data for this Ligand-Target Pair | 3D Structure (docked) |