BDBM280946 (S)-3-(2-{4-amino- 5-methyl-6- oxo-2-[1-(2,3,6- trifluorobenzyl)- 1H-indazol-3-yl]- 6,7-dihydro-5H- pyrrolo[2,3-d] pyrimidin-5-yl}- 1,3-thiazol-4-yl)- 2,2-dimethyl- propanoic acid::US10030027, Example 224A::US10428076, Example 224A

SMILES: CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2c(F)ccc(F)c2F)c2ccccc12)C(O)=O

InChI Key: InChIKey=RJALJCBCOSQYQD-LJAQVGFWSA-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 = 280946   

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))	BDBM280946 ((S)-3-(2-{4-amino- 5-methyl-6- oxo-2-[1-(2,3,6- tr...) Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2c(F)ccc(F)c2F)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C29H24F3N7O3S/c1-28(2,27(41)42)10-13-12-43-26(34-13)29(3)19-22(33)35-24(36-23(19)37-25(29)40)21-14-6-4-5-7-18(14)39(38-21)11-15-16(30)8-9-17(31)20(15)32/h4-9,12H,10-11H2,1-3H3,(H,41,42)(H3,33,35,36,37,40)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0670	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))	BDBM280946 ((S)-3-(2-{4-amino- 5-methyl-6- oxo-2-[1-(2,3,6- tr...) Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2c(F)ccc(F)c2F)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C29H24F3N7O3S/c1-28(2,27(41)42)10-13-12-43-26(34-13)29(3)19-22(33)35-24(36-23(19)37-25(29)40)21-14-6-4-5-7-18(14)39(38-21)11-15-16(30)8-9-17(31)20(15)32/h4-9,12H,10-11H2,1-3H3,(H,41,42)(H3,33,35,36,37,40)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0670	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