BDBM50242154 CHEMBL4099788::US10899756, Compound A
SMILES: COc1ccc(CNc2c3CN(C)CCc3nc3ccc(Br)cc23)cc1Cl
InChI Key: InChIKey=UMTRDSJALRKNQI-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM50242154 (CHEMBL4099788 | US10899756, Compound A) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 21.6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Trustees of Columbia University in the City of New York US Patent | Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react... | US Patent US10899756 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM50242154 (CHEMBL4099788 | US10899756, Compound A) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Curated by ChEMBL | Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase | J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P | |||||||||||
More data for this Ligand-Target Pair |