BDBM485553 5-(*S)-(4-Methyl-6-phenoxypyridin-3-yl)-4-oxo-N-((1S,3R)-3- propionamidocyclopentyl)-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide::US10934310, Ex # 390

SMILES: CCC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23

InChI Key:

Data: 1 IC50

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 1 hit for monomerid = 485553   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM485553 (5-(*S)-(4-Methyl-6-phenoxypyridin-3-yl)-4-oxo-N-((...) Show SMILES CCC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,5.4,(10.63,4.26,;10.79,2.73,;9.55,1.82,;8.14,2.45,;9.71,.29,;8.46,-.61,;8.46,-2.15,;7,-2.63,;6.09,-1.38,;7,-.14,;4.55,-1.38,;3.78,-2.72,;4.55,-4.05,;2.24,-2.72,;1.34,-3.96,;-.13,-3.49,;-1.46,-4.26,;-2.79,-3.49,;-2.79,-1.95,;-1.46,-1.18,;-1.46,.36,;-2.79,1.13,;-4.13,.36,;-5.46,1.13,;-5.46,2.67,;-6.79,3.44,;-8.13,2.67,;-9.46,3.44,;-10.79,2.67,;-10.79,1.13,;-9.46,.36,;-8.13,1.13,;-4.13,3.44,;-2.79,2.67,;-1.46,3.44,;-.13,1.13,;-.13,2.67,;1.21,.36,;1.21,-1.18,;-.13,-1.95,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...				US Patent US10934310 (2021)
					More data for this Ligand-Target Pair