BDBM246397 US9446130, 7::US9718828, Example, 552

SMILES: Cn1ncc2[C@@H](CCCc12)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12

InChI Key: InChIKey=SIMFVULLGBPDGX-LJQANCHMSA-N

Data: 2 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 2 hits for monomerid = 246397   

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))	BDBM246397 (US9446130, 7 | US9718828, Example, 552) Show SMILES Cn1ncc2[C@@H](CCCc12)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r| Show InChI InChI=1S/C26H22F3N9O/c1-37-18-3-2-4-19(17(18)12-34-37)38-24-21(23(30)32-13-33-24)22(36-38)14-5-7-15(8-6-14)25(39)35-20-11-16(9-10-31-20)26(27,28)29/h5-13,19H,2-4H2,1H3,(H2,30,32,33)(H,31,35,39)/t19-/m1/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	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. 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 US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM246397 (US9446130, 7 | US9718828, Example, 552) Show SMILES Cn1ncc2[C@@H](CCCc12)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r| Show InChI InChI=1S/C26H22F3N9O/c1-37-18-3-2-4-19(17(18)12-34-37)38-24-21(23(30)32-13-33-24)22(36-38)14-5-7-15(8-6-14)25(39)35-20-11-16(9-10-31-20)26(27,28)29/h5-13,19H,2-4H2,1H3,(H2,30,32,33)(H,31,35,39)/t19-/m1/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	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Assay Method B: BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy...				US Patent US9446130 (2016) BindingDB Entry DOI: 10.7270/Q22806H6
					More data for this Ligand-Target Pair