BDBM143318 US8940893, 3

SMILES: CC#CC(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)C1

InChI Key: InChIKey=OHWLBKVSYFITTM-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 = 143318   

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))	BDBM143318 (US8940893, 3) Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)C1 Show InChI InChI=1S/C27H24N6O2/c1-2-6-22(34)32-15-27(16-32)13-19(14-27)33-26-23(25(28)29-17-30-26)24(31-33)18-9-11-21(12-10-18)35-20-7-4-3-5-8-20/h3-5,7-12,17,19H,13-16H2,1H3,(H2,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US8940893 (2015) BindingDB Entry DOI: 10.7270/Q2PV6J3P
					More data for this Ligand-Target Pair