BDBM288567 US10087188, Example 175

SMILES: C[C@H]1CO[C@H](CN1C(=O)C12CC(C1)(C2)C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12

InChI Key: InChIKey=YWNKSFSNWQGAJI-IPMOOIPUSA-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 = 288567   

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))	BDBM288567 (US10087188, Example 175) Show SMILES C[C@H]1CO[C@H](CN1C(=O)C12CC(C1)(C2)C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C31H28F3N7O5/c1-16-12-46-20(11-41(16)27(43)29-13-30(14-29,15-29)28(44)45)25-39-22(23-24(35)37-8-9-40(23)25)17-2-4-18(5-3-17)26(42)38-21-10-19(6-7-36-21)31(32,33)34/h2-10,16,20H,11-15H2,1H3,(H2,35,37)(H,44,45)(H,36,38,42)/t16-,20+,29?,30?/m0/s1	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	0.370	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
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