BDBM281750 5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-6-fluoro-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (Single Diastereomer)::US10023534, Example 9

SMILES: CC(C)(O)[C@H]1CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c21)C(N)=O

InChI Key:

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 = 281750   

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))	BDBM281750 (5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...) Show SMILES CC(C)(O)[C@H]1CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c21)C(N)=O |r,wD:4.3,(-6.93,-1.58,;-6.93,-.04,;-8.42,-.44,;-8.02,1.05,;-5.44,.36,;-4.54,-.89,;-3.01,-.73,;-2.38,.68,;-3.29,1.92,;-4.82,1.76,;-2.38,3.17,;-.92,2.69,;.42,3.46,;1.75,2.69,;1.75,1.15,;3.08,.38,;.42,.38,;.42,-1.16,;-.92,-1.93,;-.92,-3.47,;.42,-4.24,;1.75,-3.47,;3.08,-4.24,;4.42,-3.47,;4.42,-1.93,;3.08,-1.16,;1.75,-1.93,;5.75,-4.24,;5.75,-5.78,;7.09,-3.47,;8.42,-4.24,;-.92,1.15,;.42,5,;1.75,5.78,;-.92,5.77,)| Show InChI	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	0.0450	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
					More data for this Ligand-Target Pair