BDBM280760 (S)-3-(4-{4-amino-2-[1-(2- fluorobenzyl)-1H- pyrazolo[3,4-b]pyridin-3-yl]- 5-methyl-6-oxo-6,7-dihydro- 5H-pyrrolo[2,3-d]pyrimidin- 5-yl}phenyl)propanoic acid::US10030027, Example 21B::US10428076, Example 21B

SMILES: C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1ccc(CCC(O)=O)cc1

InChI Key: InChIKey=WKXJITYEJSPBTR-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 = 280760   

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))	BDBM280760 ((S)-3-(4-{4-amino-2-[1-(2- fluorobenzyl)-1H- pyraz...) Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1ccc(CCC(O)=O)cc1 |r| Show InChI InChI=1S/C29H24FN7O3/c1-29(18-11-8-16(9-12-18)10-13-21(38)39)22-24(31)33-26(34-25(22)35-28(29)40)23-19-6-4-14-32-27(19)37(36-23)15-17-5-2-3-7-20(17)30/h2-9,11-12,14H,10,13,15H2,1H3,(H,38,39)(H3,31,33,34,35,40)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0640	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))	BDBM280760 ((S)-3-(4-{4-amino-2-[1-(2- fluorobenzyl)-1H- pyraz...) Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1ccc(CCC(O)=O)cc1 |r| Show InChI InChI=1S/C29H24FN7O3/c1-29(18-11-8-16(9-12-18)10-13-21(38)39)22-24(31)33-26(34-25(22)35-28(29)40)23-19-6-4-14-32-27(19)37(36-23)15-17-5-2-3-7-20(17)30/h2-9,11-12,14H,10,13,15H2,1H3,(H,38,39)(H3,31,33,34,35,40)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0640	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