BDBM50424270 CHEMBL2314471
SMILES: CC(C)[C@H](CO)Nc1nc(Nc2cccnc2)c2ncn(C(C)C)c2n1
InChI Key: InChIKey=ASRWRMWLFZMROI-AWEZNQCLSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50424270 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 5 (CDK5)
(Homo sapiens (Human)) | BDBM50424270
(CHEMBL2314471)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccnc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C18H25N7O/c1-11(2)14(9-26)22-18-23-16(21-13-6-5-7-19-8-13)15-17(24-18)25(10-20-15)12(3)4/h5-8,10-12,14,26H,9H2,1-4H3,(H2,21,22,23,24)/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris Descartes
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CDK5/p25 after 30 mins by scintillation counting |
Bioorg Med Chem Lett 23: 125-31 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.141 BindingDB Entry DOI: 10.7270/Q2J38TVS |
More data for this Ligand-Target Pair | |
Dual-specificity tyrosine-phosphorylation regulated kinase 1A
(Homo sapiens (Human)) | BDBM50424270
(CHEMBL2314471)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccnc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C18H25N7O/c1-11(2)14(9-26)22-18-23-16(21-13-6-5-7-19-8-13)15-17(24-18)25(10-20-15)12(3)4/h5-8,10-12,14,26H,9H2,1-4H3,(H2,21,22,23,24)/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris Descartes
Curated by ChEMBL
| Assay Description Inhibition of recombinant GST-fused human DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate |
Bioorg Med Chem Lett 23: 125-31 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.141 BindingDB Entry DOI: 10.7270/Q2J38TVS |
More data for this Ligand-Target Pair | |