BDBM362419 4-(7-amino-3- {(3R,6S)-1-[(2S)-2- methoxypropanoyl]- 6-methylpiperidin-3-yl}- 1H-pyrazolo[3,4-c]pyridin-1-yl)- N-(4-cyclopropylpyridin-2- yl)benzamide::US9834554, Example 33

SMILES: CO[C@@H](C)C(=O)N1C[C@@H](CC[C@@H]1C)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccc12

InChI Key: InChIKey=GPVXQCRDLPOOBK-SFYKDHMMSA-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 = 362419   

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))	BDBM362419 (4-(7-amino-3- {(3R,6S)-1-[(2S)-2- methoxypropanoyl...) Show SMILES CO[C@@H](C)C(=O)N1C[C@@H](CC[C@@H]1C)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccc12 |r| Show InChI InChI=1S/C31H35N7O3/c1-18-4-5-23(17-37(18)31(40)19(2)41-3)27-25-13-15-34-29(32)28(25)38(36-27)24-10-8-21(9-11-24)30(39)35-26-16-22(12-14-33-26)20-6-7-20/h8-16,18-20,23H,4-7,17H2,1-3H3,(H2,32,34)(H,33,35,39)/t18-,19-,23+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2	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