BDBM14188 3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione::CHEMBL126545::Imide Analog 15
SMILES: O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21
InChI Key: InChIKey=JJQPROAZGIYDBL-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mixed Lineage Kinase 1 (MLK1) (Homo sapiens (Human)) | BDBM14188 (3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 68 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Cephalon | Assay Description The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate... | J Med Chem 50: 433-41 (2007) Article DOI: 10.1021/jm051074u BindingDB Entry DOI: 10.7270/Q2HT2MJX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM14188 (3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Spain S.A. Curated by ChEMBL | Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING | Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mixed Lineage Kinase 3 (MLK3) (Homo sapiens (Human)) | BDBM14188 (3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9...) | PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon | Assay Description The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate... | J Med Chem 50: 433-41 (2007) Article DOI: 10.1021/jm051074u BindingDB Entry DOI: 10.7270/Q2HT2MJX | |||||||||||
More data for this Ligand-Target Pair |