BDBM280940 (2E)-3-(4-{4- amino-2-[6- chloro-1-(2- fluorobenzyl)-1H- indazol-3-yl]-5- methyl-6-oxo- 6,7-dihydro-5H- pyrrolo[2,3-d] pyrimidin-5-yl} phenyl)prop-2- enoic acid::US10030027, Example 218A::US10428076, Example 218A

SMILES: CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)c1ccc(\C=C\C(O)=O)cc1

InChI Key: InChIKey=UHEUSJJAYSSVBD-MDWZMJQESA-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 = 280940   

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))	BDBM280940 ((2E)-3-(4-{4- amino-2-[6- chloro-1-(2- fluorobenzy...) Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)c1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C30H22ClFN6O3/c1-30(18-9-6-16(7-10-18)8-13-23(39)40)24-26(33)34-28(35-27(24)36-29(30)41)25-20-12-11-19(31)14-22(20)38(37-25)15-17-4-2-3-5-21(17)32/h2-14H,15H2,1H3,(H,39,40)(H3,33,34,35,36,41)/b13-8+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0570	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))	BDBM280940 ((2E)-3-(4-{4- amino-2-[6- chloro-1-(2- fluorobenzy...) Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)c1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C30H22ClFN6O3/c1-30(18-9-6-16(7-10-18)8-13-23(39)40)24-26(33)34-28(35-27(24)36-29(30)41)25-20-12-11-19(31)14-22(20)38(37-25)15-17-4-2-3-5-21(17)32/h2-14H,15H2,1H3,(H,39,40)(H3,33,34,35,36,41)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0570	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