BDBM280821 (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)propanoyl)glycine::US10030027, Example 100B::US10428076, Example 100B

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

InChI Key: InChIKey=ZFDDTVCMCGNAPI-HKBQPEDESA-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 = 280821   

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))	BDBM280821 ((S)-(3-(4-{4-Amino-2-[1-(2-fluorobenzyl)-1H-pyrazo...) Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1ccc(CCC(=O)NCC(O)=O)cc1 |r| Show InChI InChI=1S/C31H27FN8O4/c1-31(19-11-8-17(9-12-19)10-13-22(41)35-15-23(42)43)24-26(33)36-28(37-27(24)38-30(31)44)25-20-6-4-14-34-29(20)40(39-25)16-18-5-2-3-7-21(18)32/h2-9,11-12,14H,10,13,15-16H2,1H3,(H,35,41)(H,42,43)(H3,33,36,37,38,44)/t31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0390	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))	BDBM280821 ((S)-(3-(4-{4-Amino-2-[1-(2-fluorobenzyl)-1H-pyrazo...) Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1ccc(CCC(=O)NCC(O)=O)cc1 |r| Show InChI InChI=1S/C31H27FN8O4/c1-31(19-11-8-17(9-12-19)10-13-22(41)35-15-23(42)43)24-26(33)36-28(37-27(24)38-30(31)44)25-20-6-4-14-34-29(20)40(39-25)16-18-5-2-3-7-21(18)32/h2-9,11-12,14H,10,13,15-16H2,1H3,(H,35,41)(H,42,43)(H3,33,36,37,38,44)/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0390	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