BDBM108039 US9695200, 80

SMILES: COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C=C)cc(c1)-c1cnn(C)c1

InChI Key: InChIKey=WHAUQJYARSMXIR-UHFFFAOYSA-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 = 108039   

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
Phospholipase C-gamma-1 (Homo sapiens (Human))	BDBM108039 (US9695200, 80) Show SMILES COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C=C)cc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C26H22N6O2/c1-4-24(33)31-21-8-17(7-18(9-21)20-13-30-32(2)15-20)19-10-22-23(14-29-26(22)28-12-19)16-5-6-27-25(11-16)34-3/h4-15H,1H2,2-3H3,(H,28,29)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	37
Confluence Life Sciences, Inc. US Patent					Assay Description Compounds were serially diluted into DMSO, and then into media to concentrations 10× that of the final assay concentration. Compounds were then added...				US Patent US9695200 (2017) BindingDB Entry DOI: 10.7270/Q20G3H9T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM108039 (US9695200, 80) Show SMILES COc1cc(ccn1)-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)C=C)cc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C26H22N6O2/c1-4-24(33)31-21-8-17(7-18(9-21)20-13-30-32(2)15-20)19-10-22-23(14-29-26(22)28-12-19)16-5-6-27-25(11-16)34-3/h4-15H,1H2,2-3H3,(H,28,29)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Confluence Life Sciences, Inc. US Patent					Assay Description This assay is based on the binding of a proprietary, Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor (kinase tracer-236) to the ITK express...				US Patent US9695200 (2017) BindingDB Entry DOI: 10.7270/Q20G3H9T
					More data for this Ligand-Target Pair