BDBM50274808 4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(3-morpholinopropylsulfonyl)phenyl)pyrimidin-2-amine::CHEMBL457888
SMILES: CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CCCN2CCOCC2)n1
InChI Key: InChIKey=XIXCDPUONOFFOT-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50274808 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)) | BDBM50274808
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(3-...)Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CCCN2CCOCC2)n1 Show InChI InChI=1S/C24H32N6O3S/c1-18(2)30-19(3)26-17-23(30)22-9-10-25-24(28-22)27-20-5-7-21(8-6-20)34(31,32)16-4-11-29-12-14-33-15-13-29/h5-10,17-18H,4,11-16H2,1-3H3,(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 | 210 | 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)) | BDBM50274808
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(3-...)Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CCCN2CCOCC2)n1 Show InChI InChI=1S/C24H32N6O3S/c1-18(2)30-19(3)26-17-23(30)22-9-10-25-24(28-22)27-20-5-7-21(8-6-20)34(31,32)16-4-11-29-12-14-33-15-13-29/h5-10,17-18H,4,11-16H2,1-3H3,(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 | 33 | 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 | |