BDBM50274806 4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-((tetrahydrofuran-2-yl)methylsulfonyl)phenyl)pyrimidin-2-amine::CHEMBL515839
SMILES: CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CC2CCCO2)n1
InChI Key: InChIKey=VELBXKDYGYBFSC-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50274806 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)) | BDBM50274806
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-((t...)Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CC2CCCO2)n1 Show InChI InChI=1S/C22H27N5O3S/c1-15(2)27-16(3)24-13-21(27)20-10-11-23-22(26-20)25-17-6-8-19(9-7-17)31(28,29)14-18-5-4-12-30-18/h6-11,13,15,18H,4-5,12,14H2,1-3H3,(H,23,25,26) | 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 | 530 | 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)) | BDBM50274806
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-((t...)Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CC2CCCO2)n1 Show InChI InChI=1S/C22H27N5O3S/c1-15(2)27-16(3)24-13-21(27)20-10-11-23-22(26-20)25-17-6-8-19(9-7-17)31(28,29)14-18-5-4-12-30-18/h6-11,13,15,18H,4-5,12,14H2,1-3H3,(H,23,25,26) | 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 | 13 | 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 | |