BDBM107952 US9695200, 76

SMILES: COc1cc(NC(=O)\C=C\CN(C)C)cc(c1)-c1cnc2[nH]cc(-c3ccnc(OC)c3)c2c1

InChI Key: InChIKey=HWCCLHKAHJQSMW-AATRIKPKSA-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 = 107952   

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
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 (Homo sapiens (Human))	BDBM107952 (US9695200, 76) Show SMILES COc1cc(NC(=O)\C=C\CN(C)C)cc(c1)-c1cnc2[nH]cc(-c3ccnc(OC)c3)c2c1 Show InChI InChI=1S/C26H27N5O3/c1-31(2)9-5-6-24(32)30-20-10-18(11-21(14-20)33-3)19-12-22-23(16-29-26(22)28-15-19)17-7-8-27-25(13-17)34-4/h5-8,10-16H,9H2,1-4H3,(H,28,29)(H,30,32)/b6-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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))	BDBM107952 (US9695200, 76) Show SMILES COc1cc(NC(=O)\C=C\CN(C)C)cc(c1)-c1cnc2[nH]cc(-c3ccnc(OC)c3)c2c1 Show InChI InChI=1S/C26H27N5O3/c1-31(2)9-5-6-24(32)30-20-10-18(11-21(14-20)33-3)19-12-22-23(16-29-26(22)28-15-19)17-7-8-27-25(13-17)34-4/h5-8,10-16H,9H2,1-4H3,(H,28,29)(H,30,32)/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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