BDBM280917 4-(2-{4-amino-2- [6-fluoro-1-(2- fluorobenzyl)-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- butanoic acid::US10030027, Example 193B::US10428076, Example 193B

SMILES: CC(C)(CCc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(F)ccc12)C(O)=O

InChI Key: InChIKey=YYPRORGSKWRWBB-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 280917   

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))	BDBM280917 (4-(2-{4-amino-2- [6-fluoro-1-(2- fluorobenzyl)-1H-...) Show SMILES CC(C)(CCc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(F)ccc12)C(O)=O Show InChI InChI=1S/C30H27F2N7O4/c1-29(2,28(41)42)11-10-17-14-43-27(34-17)30(3)21-23(33)35-25(36-24(21)37-26(30)40)22-18-9-8-16(31)12-20(18)39(38-22)13-15-6-4-5-7-19(15)32/h4-9,12,14H,10-11,13H2,1-3H3,(H,41,42)(H3,33,35,36,37,40)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0520	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))	BDBM280917 (4-(2-{4-amino-2- [6-fluoro-1-(2- fluorobenzyl)-1H-...) Show SMILES CC(C)(CCc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(F)ccc12)C(O)=O Show InChI InChI=1S/C30H27F2N7O4/c1-29(2,28(41)42)11-10-17-14-43-27(34-17)30(3)21-23(33)35-25(36-24(21)37-26(30)40)22-18-9-8-16(31)12-20(18)39(38-22)13-15-6-4-5-7-19(15)32/h4-9,12,14H,10-11,13H2,1-3H3,(H,41,42)(H3,33,35,36,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0520	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