BDBM280844 3-{2-[4-amino-5-methyl- 2-{1-[4- methylcyclohexylmethyl]- 1H-pyrazolo[3,4- b]pyridin-3-yl}-6-oxo-6,7- dihydro-5H-pyrrolo[2,3- d]pyrimidin-5-yl]-1,3- oxazol-4-yl}-2,2- dimethylpropanoic acid::US10030027, Example 126AA::US10030027, Example 126AB::US10428076, Example 126AB
SMILES: CC1CCC(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3cccnc23)CC1
InChI Key: InChIKey=PLMKYOOCQBBHRC-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human)) | BDBM280844 (3-{2-[4-amino-5-methyl- 2-{1-[4- methylcyclohexylm...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.0770 | 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 | |||||||||||||
Soluble Guanylate Cyclases (Homo sapiens (Human)) | BDBM280844 (3-{2-[4-amino-5-methyl- 2-{1-[4- methylcyclohexylm...) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.0770 | 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 | |||||||||||||
Soluble Guanylate Cyclases (Homo sapiens (Human)) | BDBM280844 (3-{2-[4-amino-5-methyl- 2-{1-[4- methylcyclohexylm...) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.100 | 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)) | BDBM280844 (3-{2-[4-amino-5-methyl- 2-{1-[4- methylcyclohexylm...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.100 | 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 |