null

SMILES: CC(C)Oc1cc(N2CCN(CC2)C(C)C)c(C)cc1Nc1ncc(OC(F)F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

InChI Key: InChIKey=PJKDKTHEQGYKPO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 448477   

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
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM448477 (US10695347, Compound I-115) Show SMILES CC(C)Oc1cc(N2CCN(CC2)C(C)C)c(C)cc1Nc1ncc(OC(F)F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C31H42F2N6O4S/c1-19(2)38-12-14-39(15-13-38)25-17-26(42-20(3)4)24(16-22(25)7)36-31-34-18-27(43-30(32)33)29(37-31)35-23-10-8-9-11-28(23)44(40,41)21(5)6/h8-11,16-21,30H,12-15H2,1-7H3,(H2,34,35,36,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. US Patent					Assay Description 1× Kinase Buffer 50 mM HEPES. pH 7.5 0.0015% Brij-35 10 mM MgCl2 2 mM DTT 2) stop buffer 100 mM HEPES, pH 7...				US Patent US10695347 (2020)
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM448477 (US10695347, Compound I-115) Show SMILES CC(C)Oc1cc(N2CCN(CC2)C(C)C)c(C)cc1Nc1ncc(OC(F)F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C31H42F2N6O4S/c1-19(2)38-12-14-39(15-13-38)25-17-26(42-20(3)4)24(16-22(25)7)36-31-34-18-27(43-30(32)33)29(37-31)35-23-10-8-9-11-28(23)44(40,41)21(5)6/h8-11,16-21,30H,12-15H2,1-7H3,(H2,34,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. US Patent					Assay Description 1× Kinase Buffer 50 mM HEPES. pH 7.5 0.0015% Brij-35 10 mM MgCl2 2 mM DTT 2) stop buffer 100 mM HEPES, pH 7...				US Patent US10695347 (2020)
					More data for this Ligand-Target Pair