null
SMILES: CS(=O)(=O)N1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)C(=O)NCC(F)(F)F)c1
InChI Key: InChIKey=YZSBBJRRSAKGQY-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50379650 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)) | BDBM50379650
(CHEMBL2013168)Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)C(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C21H22F3N7O3S2/c1-36(33,34)31-6-4-30(5-7-31)16-2-3-26-18(9-16)29-20-27-12-17(35-20)14-8-15(11-25-10-14)19(32)28-13-21(22,23)24/h2-3,8-12H,4-7,13H2,1H3,(H,28,32)(H,26,27,29) | 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 | 2.10E+3 | 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)) | BDBM50379650
(CHEMBL2013168)Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)C(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C21H22F3N7O3S2/c1-36(33,34)31-6-4-30(5-7-31)16-2-3-26-18(9-16)29-20-27-12-17(35-20)14-8-15(11-25-10-14)19(32)28-13-21(22,23)24/h2-3,8-12H,4-7,13H2,1H3,(H,28,32)(H,26,27,29) | 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 | 1.70 | 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 | |