BDBM7325 2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one::4-(2-oxopropyl)-14-(trifluoromethyl)-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one::NSC 718539::Paullone Analogue 60
SMILES: CC(=O)Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1
InChI Key: InChIKey=KQINIHDQMUXUNU-UHFFFAOYSA-N
Data: 3 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 1 (CDK1) (Marthasterias glacialis (starfish)) | BDBM7325 (2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydroin...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Universitat Hamburg | Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... | J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen Synthase Kinase-3, beta (Rattus norvegicus (rat)) | BDBM7325 (2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydroin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | 30 |
Universitat Hamburg | Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... | J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human)) | BDBM7325 (2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydroin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | 30 |
Universitat Hamburg | Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... | J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR | |||||||||||
More data for this Ligand-Target Pair |