BDBM50509406 CHEMBL4435159
SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]3n1cnc2c(N)ncnc12
InChI Key: InChIKey=BQZWXNITEWDGCM-INFSMZHSSA-N
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 |
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Stimulator of interferon genes protein (Human) | BDBM50509406 (CHEMBL4435159) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB Curated by ChEMBL | Assay Description Activation of recombinant human STING haplotype R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-... | J Med Chem 62: 10676-10690 (2019) Article DOI: 10.1021/acs.jmedchem.9b01062 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stimulator of interferon genes protein (Human) | BDBM50509406 (CHEMBL4435159) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB Curated by ChEMBL | Assay Description Activation of recombinant human STING haplotype G230A/R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by brigh... | J Med Chem 62: 10676-10690 (2019) Article DOI: 10.1021/acs.jmedchem.9b01062 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stimulator of interferon genes protein (Human) | BDBM50509406 (CHEMBL4435159) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 2.87E+5 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Binding affinity to wild type human STING (139 to 379 residues) by ITC assay | J Med Chem 63: 3785-3816 (2020) Article DOI: 10.1021/acs.jmedchem.9b01039 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stimulator of interferon genes protein (Human) | BDBM50509406 (CHEMBL4435159) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB Curated by ChEMBL | Assay Description Activation of recombinant human STING haplotype R71H/G230A/R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by ... | J Med Chem 62: 10676-10690 (2019) Article DOI: 10.1021/acs.jmedchem.9b01062 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stimulator of interferon genes protein (Human) | BDBM50509406 (CHEMBL4435159) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | 3.92E+4 | n/a | n/a | n/a | n/a |
Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB Curated by ChEMBL | Assay Description Activation of recombinant human wild-type STING expressed in 293T cells incubated for 7 hrs in absence of digitonin A by bright Glo-luciferase report... | J Med Chem 62: 10676-10690 (2019) Article DOI: 10.1021/acs.jmedchem.9b01062 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stimulator of interferon genes protein (Human) | BDBM50509406 (CHEMBL4435159) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB Curated by ChEMBL | Assay Description Activation of recombinant human wild-type STING expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-luciferase re... | J Med Chem 62: 10676-10690 (2019) Article DOI: 10.1021/acs.jmedchem.9b01062 | |||||||||||
More data for this Ligand-Target Pair |