BDBM281746 4-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-fluoro-9H-carbazole-1-carboxamide (Single Enantiomeric Atropisomer)::US10023534, Example 5

SMILES: NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12

InChI Key: InChIKey=VWUHADSENUHZBB-UHFFFAOYSA-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 = 281746   

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))	BDBM281746 (4-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(.26,5.78,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.93,;-2.4,-3.47,;-1.07,-4.24,;.26,-3.47,;1.6,-4.24,;2.93,-3.47,;2.93,-1.93,;1.6,-1.16,;.26,-1.93,;4.26,-4.24,;4.26,-5.78,;5.6,-3.47,;6.93,-4.24,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)| Show InChI InChI=1S/C25H20FN3O2/c1-2-21(30)29-11-10-15-14(13-29)6-5-8-16(15)22-19(26)12-18(25(27)31)24-23(22)17-7-3-4-9-20(17)28-24/h2-9,12,28H,1,10-11,13H2,(H2,27,31)	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	0.0670	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
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