BDBM362398 4-(7-amino-3-{(3R)-1-[(1- hydroxycyclopropyl) carbonyl]piperidin-3-yl}- 1H-pyrazolo[3,4-c]pyridin-1-yl)- N-[4-(trifluoromethyl)pyridin- 2-yl]benzamide::US9834554, Example 25

SMILES: Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1(O)CC1

InChI Key: InChIKey=FPMUDVJXICFFLM-QGZVFWFLSA-N

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 = 362398   

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))	BDBM362398 (4-(7-amino-3-{(3R)-1-[(1- hydroxycyclopropyl) carb...) Show SMILES Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1(O)CC1 |r| Show InChI InChI=1S/C28H26F3N7O3/c29-28(30,31)18-7-11-33-21(14-18)35-25(39)16-3-5-19(6-4-16)38-23-20(8-12-34-24(23)32)22(36-38)17-2-1-13-37(15-17)26(40)27(41)9-10-27/h3-8,11-12,14,17,41H,1-2,9-10,13,15H2,(H2,32,34)(H,33,35,39)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9834554 (2017) BindingDB Entry DOI: 10.7270/Q2K64MCV
					More data for this Ligand-Target Pair