BDBM7167 3-(4-sulfamoylphenyl)-3,4,10,11-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaene-5-carboxamide::dihydro-benzodipyrazole deriv. 7a
SMILES: NC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2c1ccc1[nH]ncc21
InChI Key: InChIKey=HGAKLLFPOGATII-UHFFFAOYSA-N
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 |
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Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM7167 (3-(4-sulfamoylphenyl)-3,4,10,11-tetraazatricyclo[7...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Nerviano Medical Sciences | Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... | Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |