BDBM280870 4-(2-{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}-1,3-oxazol-4- yl)benzoic acid::US10030027, Example 146A::US10428076, Example 146A

SMILES: CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1nc(co1)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=HAKQFYQPNPQNIO-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 = 280870   

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))	BDBM280870 (4-(2-{4-amino-2- [1-(2-fluorobenzyl)- 1H-pyrazolo[...) Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1nc(co1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C30H21FN8O4/c1-30(29-34-20(14-43-29)15-8-10-16(11-9-15)27(40)41)21-23(32)35-25(36-24(21)37-28(30)42)22-18-6-4-12-33-26(18)39(38-22)13-17-5-2-3-7-19(17)31/h2-12,14H,13H2,1H3,(H,40,41)(H3,32,35,36,37,42)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0620	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))	BDBM280870 (4-(2-{4-amino-2- [1-(2-fluorobenzyl)- 1H-pyrazolo[...) Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1nc(co1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C30H21FN8O4/c1-30(29-34-20(14-43-29)15-8-10-16(11-9-15)27(40)41)21-23(32)35-25(36-24(21)37-28(30)42)22-18-6-4-12-33-26(18)39(38-22)13-17-5-2-3-7-19(17)31/h2-12,14H,13H2,1H3,(H,40,41)(H3,32,35,36,37,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0620	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