BDBM50250108 CHEMBL4096573
SMILES: OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
InChI Key: InChIKey=PHGTYMRDHDEHLI-HIFRSBDPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclic GMP-AMP synthase (Homo sapiens) | BDBM50250108![]() (CHEMBL4096573) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc... | PLoS ONE 12: (2017) Article DOI: 10.1371/journal.pone.0184843 BindingDB Entry DOI: 10.7270/Q2WQ067J | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cyclic GMP-AMP synthase (Homo sapiens) | BDBM50250108![]() (CHEMBL4096573) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity to human Cyclic GMP-AMP synthase (2 to 522 residues) expressed in Sf9 cells by surface plasmon resonance analysis | J Med Chem 62: 3857-3872 (2019) Article DOI: 10.1021/acs.jmedchem.8b01472 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cyclic GMP-AMP synthase (Homo sapiens) | BDBM50250108![]() (CHEMBL4096573) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Binding affinity to human cGAS (2 to 522 residues) expressed in Sf9 insect cells by surface plasmon resonance assay | PLoS ONE 12: (2017) Article DOI: 10.1371/journal.pone.0184843 BindingDB Entry DOI: 10.7270/Q2WQ067J | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cyclic GMP-AMP synthase (Homo sapiens) | BDBM50250108![]() (CHEMBL4096573) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc... | PLoS ONE 12: (2017) Article DOI: 10.1371/journal.pone.0184843 BindingDB Entry DOI: 10.7270/Q2WQ067J | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |