BDBM280934 3-(2-{4-amino-2- [6-fluoro-1-(2- fluoro-3-methyl- benzyl)-1H- indazol-3-yl]-5- methyl-6-oxo- 6,7-dihydro-5H- pyrrolo[2,3-d] pyrimidin-5-yl}- 1,3-oxazol-4-yl)- 2,2-dimethyl- propanoic acid::US10030027, Example 212A::US10428076, Example 212A
SMILES: Cc1cccc(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3ccc(F)cc23)c1F
InChI Key: InChIKey=SIFLLUVQSMXCSW-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Soluble Guanylate Cyclases (Homo sapiens (Human)) | BDBM280934 (3-(2-{4-amino-2- [6-fluoro-1-(2- fluoro-3-methyl- ...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.0720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _... | US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human)) | BDBM280934 (3-(2-{4-amino-2- [6-fluoro-1-(2- fluoro-3-methyl- ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.0720 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi... | US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C | |||||||||||
More data for this Ligand-Target Pair |