BDBM12026 4-Arylazo-3,5-diamino-1H-pyrazole 27b::4-[(E)-2-(3-nitrophenyl)diazen-1-yl]-1H-pyrazole-3,5-diamine
SMILES: Nc1n[nH]c(N)c1\N=N\c1cccc(c1)[N+]([O-])=O
InChI Key: InChIKey=KNSDLOIIFWEGLS-OUKQBFOZSA-N
Data: 6 IC50
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/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human)) | BDBM12026 (4-Arylazo-3,5-diamino-1H-pyrazole 27b | 4-[(E)-2-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Palacky University | Assay Description In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P... | J Med Chem 49: 6500-9 (2006) Article DOI: 10.1021/jm0605740 BindingDB Entry DOI: 10.7270/Q2M61HHK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human)) | BDBM12026 (4-Arylazo-3,5-diamino-1H-pyrazole 27b | 4-[(E)-2-(...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.80E+4 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Palacky University | Assay Description In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P... | J Med Chem 49: 6500-9 (2006) Article DOI: 10.1021/jm0605740 BindingDB Entry DOI: 10.7270/Q2M61HHK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human)) | BDBM12026 (4-Arylazo-3,5-diamino-1H-pyrazole 27b | 4-[(E)-2-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | 30 |
Palacky University | Assay Description In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P... | J Med Chem 49: 6500-9 (2006) Article DOI: 10.1021/jm0605740 BindingDB Entry DOI: 10.7270/Q2M61HHK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human)) | BDBM12026 (4-Arylazo-3,5-diamino-1H-pyrazole 27b | 4-[(E)-2-(...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | 30 |
Palacky University | Assay Description In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P... | J Med Chem 49: 6500-9 (2006) Article DOI: 10.1021/jm0605740 BindingDB Entry DOI: 10.7270/Q2M61HHK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human)) | BDBM12026 (4-Arylazo-3,5-diamino-1H-pyrazole 27b | 4-[(E)-2-(...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | 30 |
Palacky University | Assay Description In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P... | J Med Chem 49: 6500-9 (2006) Article DOI: 10.1021/jm0605740 BindingDB Entry DOI: 10.7270/Q2M61HHK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human)) | BDBM12026 (4-Arylazo-3,5-diamino-1H-pyrazole 27b | 4-[(E)-2-(...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Palacky University | Assay Description In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P... | J Med Chem 49: 6500-9 (2006) Article DOI: 10.1021/jm0605740 BindingDB Entry DOI: 10.7270/Q2M61HHK | |||||||||||
More data for this Ligand-Target Pair |