Molecule Details
| InChIKey | ZKZXNDJNWUTGDK-NSCUHMNNSA-N |
|---|---|
| Compound Name | protein kinase inhibitor H89 |
| Canonical SMILES | O=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)c1cccc2cnccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.9 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07995 |
|---|---|
| Drug Name | H-89 |
| CAS Number | 127243-85-0 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Amides Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Protein Kinase Inhibitors Sulfones Sulfur Compounds
Cross-references: BindingDB: 15211 ChEBI: 47495 CHEMBL104264 ChemSpider: 395827 PDB: IQB PubChem:449241 PubChem:99444466 Wikipedia: H-89 ZINC: ZINC000002043204
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.5 | Kd | ChEMBL;BindingDB |
| P22612 | PRKACG | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL |
| P22694 | PRKACB | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 7.1 | IC50 | ChEMBL;BindingDB |
| O75582 | RPS6KA5 | Homo sapiens | Human | PF00069 PF00433 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q9Y243 | AKT3 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q13976 | PRKG1 | Homo sapiens | Human | PF00027 PF16808 PF00069 | 6.3 | Ki | BindingDB |
| P31751 | AKT2 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.2 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P61925 | P61925 | cAMP-dependent protein kinase inhibitor alpha | binder | targets |
| Q8TF76 | HASPIN | Serine/threonine-protein kinase haspin | binder | targets |
| P17612 | PRKACA | cAMP-dependent protein kinase catalytic subunit alpha | inhibitor | targets |
| P19525 | EIF2AK2 | Interferon-induced, double-stranded RNA-activated protein kinase | inhibitor | targets |