null
SMILES: FC(F)(F)CNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1
InChI Key: InChIKey=IVARDFDBTMUCOJ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50379624 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)) | BDBM50379624
(CHEMBL2013167)Show SMILES FC(F)(F)CNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1 Show InChI InChI=1S/C20H19F3N6O2S/c21-20(22,23)12-27-18(30)14-7-13(9-24-10-14)16-11-26-19(32-16)28-17-8-15(1-2-25-17)29-3-5-31-6-4-29/h1-2,7-11H,3-6,12H2,(H,27,30)(H,25,26,28) | 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 | 705 | 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)) | BDBM50379624
(CHEMBL2013167)Show SMILES FC(F)(F)CNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1 Show InChI InChI=1S/C20H19F3N6O2S/c21-20(22,23)12-27-18(30)14-7-13(9-24-10-14)16-11-26-19(32-16)28-17-8-15(1-2-25-17)29-3-5-31-6-4-29/h1-2,7-11H,3-6,12H2,(H,27,30)(H,25,26,28) | 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 | 1.60 | 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) |