BDBM12615 1-[4-({4-amino-5-[(2-ethoxyphenyl)carbonyl]pyrimidin-2-yl}amino)piperidin-1-yl]ethan-1-one::1-[4-[4-Amino-5-(2-ethoxybenzoyl)pyrimidin-2-ylamino]piperidin-1-yl]ethanone::2,4-Diamino-5-ketopyrimidine 33
SMILES: CCOc1ccccc1C(=O)c1cnc(NC2CCN(CC2)C(C)=O)nc1N
InChI Key: InChIKey=OBDPIVSOXGXWQB-UHFFFAOYSA-N
Data: 3 KI
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/G1/S-specific cyclin-D1 (Homo sapiens (Human)) | BDBM12615 (1-[4-({4-amino-5-[(2-ethoxyphenyl)carbonyl]pyrimid...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 986 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. | Assay Description Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... | J Med Chem 49: 6549-60 (2006) Article DOI: 10.1021/jm0606138 BindingDB Entry DOI: 10.7270/Q2QR4VB2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human)) | BDBM12615 (1-[4-({4-amino-5-[(2-ethoxyphenyl)carbonyl]pyrimid...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. | Assay Description Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... | J Med Chem 49: 6549-60 (2006) Article DOI: 10.1021/jm0606138 BindingDB Entry DOI: 10.7270/Q2QR4VB2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human)) | BDBM12615 (1-[4-({4-amino-5-[(2-ethoxyphenyl)carbonyl]pyrimid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. | Assay Description Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... | J Med Chem 49: 6549-60 (2006) Article DOI: 10.1021/jm0606138 BindingDB Entry DOI: 10.7270/Q2QR4VB2 | |||||||||||
More data for this Ligand-Target Pair |