BDBM230836 US9340537, 90::US9896444, Example 90

SMILES: CC1(O)CN(C1)c1ncc(cc1-c1[nH]ncc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1

InChI Key: InChIKey=UBBOJUOJAKLCCU-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 = 230836   

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 (Homo sapiens (Human))	BDBM230836 (US9340537, 90 | US9896444, Example 90) Show SMILES CC1(O)CN(C1)c1ncc(cc1-c1[nH]ncc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C20H17ClF3N5O3/c1-19(31)9-29(10-19)17-14(16-15(22)8-26-28-16)6-11(7-25-17)18(30)27-12-2-4-13(5-3-12)32-20(21,23)24/h2-8,31H,9-10H2,1H3,(H,26,28)(H,27,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL					Assay Description Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...				J Med Chem 50: 4953-75 (2007) BindingDB Entry DOI: 10.7270/Q2B27XKV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM230836 (US9340537, 90 | US9896444, Example 90) Show SMILES CC1(O)CN(C1)c1ncc(cc1-c1[nH]ncc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C20H17ClF3N5O3/c1-19(31)9-29(10-19)17-14(16-15(22)8-26-28-16)6-11(7-25-17)18(30)27-12-2-4-13(5-3-12)32-20(21,23)24/h2-8,31H,9-10H2,1H3,(H,26,28)(H,27,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.5	30
NOVATIS AG US Patent					Assay Description The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...				US Patent US9340537 (2016) BindingDB Entry DOI: 10.7270/Q2FB51T5
					More data for this Ligand-Target Pair