BDBM206087 US9255107, 9

SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cn(C)c(n3)-c3ncc([nH]3)C(F)(F)F)cc2C(F)(F)F)CC1

InChI Key: InChIKey=HTQFCQUXHWQFLM-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 = 206087   

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 ABL1 [T315I] (Homo sapiens (Human))	BDBM206087 (US9255107, 9) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cn(C)c(n3)-c3ncc([nH]3)C(F)(F)F)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H29F6N7O/c1-19-4-5-21(14-20(19)6-9-24-18-43(3)28(39-24)27-38-16-26(41-27)31(35,36)37)29(45)40-23-8-7-22(25(15-23)30(32,33)34)17-44-12-10-42(2)11-13-44/h4-5,7-8,14-16,18H,10-13,17H2,1-3H3,(H,38,41)(H,40,45)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.45	n/a	n/a	n/a	n/a	n/a	25
NANJING SANHOME PHARMACEUTICAL CO., LTD. US Patent					Assay Description Serially diluting the compound of the present invention from 1 uM initial concentration in three-fold fashion and formulating 10 concentrations (50.8...				US Patent US9255107 (2016) BindingDB Entry DOI: 10.7270/Q22806F9
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