BDBM50424294 CHEMBL2314447
SMILES: CC(C)[C@H](CO)Nc1nc(Nc2cncnc2)c2ncn(C(C)C)c2n1
InChI Key: InChIKey=FQFGDUPFMGYOMB-ZDUSSCGKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50424294 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 |
Dual-specificity tyrosine-phosphorylation regulated kinase 1A
(Homo sapiens (Human)) | BDBM50424294
(CHEMBL2314447)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cncnc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C17H24N8O/c1-10(2)13(7-26)22-17-23-15(21-12-5-18-8-19-6-12)14-16(24-17)25(9-20-14)11(3)4/h5-6,8-11,13,26H,7H2,1-4H3,(H2,21,22,23,24)/t13-/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 | 300 | 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 | |
Cyclin-Dependent Kinase 5 (CDK5)
(Homo sapiens (Human)) | BDBM50424294
(CHEMBL2314447)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cncnc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C17H24N8O/c1-10(2)13(7-26)22-17-23-15(21-12-5-18-8-19-6-12)14-16(24-17)25(9-20-14)11(3)4/h5-6,8-11,13,26H,7H2,1-4H3,(H2,21,22,23,24)/t13-/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 | 38 | 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 | |