BDBM50199310 2S,3S,4R,5R)-5-6-amino-9H-purin-9-yl)-N-12R,15R,18R,21R,24R,27R)-12,15,18,21,24,27-hexakis3-guanidinopropyl)-1-isoquinoline-5-sulfonamido)-9,11,14,17,20,23,26,29-octaoxo-3,10,13,16,19,22,25,28-o ctaazatetratriacontan-34-yl)-3,4-dihydroxytetrahydrofuran-2-carboxamide::CHEMBL413460
SMILES: NC(=N)NCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(=O)CCCCCNCCNS(=O)(=O)c1cccc2cnccc12
InChI Key: InChIKey=HHEIYNRCIWESMM-ZTZQGKIOSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human)) | BDBM50199310 (2S,3S,4R,5R)-5-6-amino-9H-purin-9-yl)-N-12R,15R,18...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Organic and Bioorganic Chemistry Curated by ChEMBL | Assay Description Inhibitory potency towards human cAPK C alpha in the presence of 100uM ATP and 30uM TAMRA-kemptide | J Med Chem 49: 7150-9 (2006) Article DOI: 10.1021/jm0605942 BindingDB Entry DOI: 10.7270/Q2542N79 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human)) | BDBM50199310 (2S,3S,4R,5R)-5-6-amino-9H-purin-9-yl)-N-12R,15R,18...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Organic and Bioorganic Chemistry Curated by ChEMBL | Assay Description Inhibitory potency towards human cAPK C alpha in the presence of 100uM ATP and 30uM TAMRA-kemptide | J Med Chem 49: 7150-9 (2006) Article DOI: 10.1021/jm0605942 BindingDB Entry DOI: 10.7270/Q2542N79 | |||||||||||
More data for this Ligand-Target Pair |