BDBM50098227 CHEMBL275750::Pentanoic acid 2-[4-(3-benzylamino-4-hydroxy-5-methyl-cyclohexyloxy)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacen-2-yl]-2-oxo-ethyl ester (AD 198)
SMILES: CCCCC(=O)OCC(=O)[C@]1(O)C[C@@H](O[C@@H]2C[C@H](C)[C@H](O)[C@H](C2)NCc2ccccc2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2C1
InChI Key: InChIKey=NMDYEYAQYUCPJO-YXVHJZLZSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rho-GTPase-activating protein 3 (Homo sapiens (Human)) | BDBM50098227 (CHEMBL275750 | Pentanoic acid 2-[4-(3-benzylamino-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee College of Medicine Curated by ChEMBL | Assay Description Binding affinity of the compound towards beta chimerin | J Med Chem 44: 1028-34 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZT9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C delta type (Homo sapiens (Human)) | BDBM50098227 (CHEMBL275750 | Pentanoic acid 2-[4-(3-benzylamino-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee College of Medicine Curated by ChEMBL | Assay Description Binding affinity for Protein kinase C delta | J Med Chem 44: 1028-34 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZT9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C delta type (Homo sapiens (Human)) | BDBM50098227 (CHEMBL275750 | Pentanoic acid 2-[4-(3-benzylamino-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee College of Medicine Curated by ChEMBL | Assay Description Binding affinity for PKC-delta C1b | J Med Chem 44: 1028-34 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZT9 | |||||||||||
More data for this Ligand-Target Pair |