BDBM11460 2,6,9-trisubstituted adenine derivative::2-N-(4-aminocyclohexyl)-6-N-benzyl-9-cyclopentyl-9H-purine-2,6-diamine::2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE::H717
SMILES: N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
InChI Key: InChIKey=JTVILUUAQWQWBK-IYARVYRRSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM11460 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University Curated by ChEMBL | Assay Description Inhibition of human recombinant CDK1 | J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human)) | BDBM11460 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 52 | n/a | n/a | n/a | n/a | 8.0 | 30 |
Lawrence Berkeley National Laboratory | Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 0.5 uM ATP/ [gamma-33P] ATP. Af... | J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM11460 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) | 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 | Article PubMed | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Lawrence Berkeley National Laboratory | Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 10 uM ATP/[gamma-33P] ATP, and capturing the 33-P labeled reaction products on GSH-Se... | J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM11460 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 48 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Lawrence Berkeley National Laboratory | Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 10 uM ATP/[gamma-33P] ATP, and capturing the 33-P labeled reaction products on GSH-Se... | J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |