BDBM280796 (S)-3-(4-{4-amino-2-[6- chloro-1-(2,6- difluorobenzyl)-1H-indazol- 3-yl]-5-methyl-6-oxo-6,7- dihydro-5H-pyrrolo[2,3- d]pyrimidin-5- yl}phenyl)propanoic acid::US10030027, Example 64B::US10428076, Example 64B

SMILES: C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2c(F)cccc2F)c2cc(Cl)ccc12)c1ccc(CCC(O)=O)cc1

InChI Key: InChIKey=ZMVUMPOAEYHCLB-PMERELPUSA-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 = 280796   

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))	BDBM280796 ((S)-3-(4-{4-amino-2-[6- chloro-1-(2,6- difluoroben...) Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2c(F)cccc2F)c2cc(Cl)ccc12)c1ccc(CCC(O)=O)cc1 |r| Show InChI InChI=1S/C30H23ClF2N6O3/c1-30(16-8-5-15(6-9-16)7-12-23(40)41)24-26(34)35-28(36-27(24)37-29(30)42)25-18-11-10-17(31)13-22(18)39(38-25)14-19-20(32)3-2-4-21(19)33/h2-6,8-11,13H,7,12,14H2,1H3,(H,40,41)(H3,34,35,36,37,42)/t30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0750	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))	BDBM280796 ((S)-3-(4-{4-amino-2-[6- chloro-1-(2,6- difluoroben...) Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2c(F)cccc2F)c2cc(Cl)ccc12)c1ccc(CCC(O)=O)cc1 |r| Show InChI InChI=1S/C30H23ClF2N6O3/c1-30(16-8-5-15(6-9-16)7-12-23(40)41)24-26(34)35-28(36-27(24)37-29(30)42)25-18-11-10-17(31)13-22(18)39(38-25)14-19-20(32)3-2-4-21(19)33/h2-6,8-11,13H,7,12,14H2,1H3,(H,40,41)(H3,34,35,36,37,42)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0750	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