BDBM50274746 CHEMBL457979::N-(4-(benzylsulfonyl)phenyl)-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-amine
SMILES: CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Cc2ccccc2)n1
InChI Key: InChIKey=RAUORSGJEKKDRM-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50274746 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 4
(Homo sapiens (Human)) | BDBM50274746
(CHEMBL457979 | N-(4-(benzylsulfonyl)phenyl)-4-(1-i...)Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Cc2ccccc2)n1 Show InChI InChI=1S/C24H25N5O2S/c1-17(2)29-18(3)26-15-23(29)22-13-14-25-24(28-22)27-20-9-11-21(12-10-20)32(30,31)16-19-7-5-4-6-8-19/h4-15,17H,16H2,1-3H3,(H,25,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CDK4 |
Bioorg Med Chem Lett 18: 5487-92 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50274746
(CHEMBL457979 | N-(4-(benzylsulfonyl)phenyl)-4-(1-i...)Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Cc2ccccc2)n1 Show InChI InChI=1S/C24H25N5O2S/c1-17(2)29-18(3)26-15-23(29)22-13-14-25-24(28-22)27-20-9-11-21(12-10-20)32(30,31)16-19-7-5-4-6-8-19/h4-15,17H,16H2,1-3H3,(H,25,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CDK2 |
Bioorg Med Chem Lett 18: 5487-92 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K |
More data for this Ligand-Target Pair | |