null
SMILES: CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CO)n1
InChI Key: InChIKey=PVTKDXZNSUHUMO-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50263070 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 |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50263070
(2-hydroxy-1-(4-(4-(4-(1-isopropyl-2-methyl-1H-imid...)Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CO)n1 Show InChI InChI=1S/C23H29N7O2/c1-16(2)30-17(3)25-14-21(30)20-8-9-24-23(27-20)26-18-4-6-19(7-5-18)28-10-12-29(13-11-28)22(32)15-31/h4-9,14,16,31H,10-13,15H2,1-3H3,(H,24,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 18: 4442-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50263070
(2-hydroxy-1-(4-(4-(4-(1-isopropyl-2-methyl-1H-imid...)Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CO)n1 Show InChI InChI=1S/C23H29N7O2/c1-16(2)30-17(3)25-14-21(30)20-8-9-24-23(27-20)26-18-4-6-19(7-5-18)28-10-12-29(13-11-28)22(32)15-31/h4-9,14,16,31H,10-13,15H2,1-3H3,(H,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin E (unknown origin) |
Bioorg Med Chem Lett 18: 4442-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.027 BindingDB Entry DOI: 10.7270/Q24749PG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |