null

SMILES: COc1cc(N2CCC(CC2)N(C)C)c(C)cc1Nc1ncc(OC(F)F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

InChI Key: InChIKey=JZEZYMDRSDIGLS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 448474   

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))	BDBM448474 (US10695347, Compound I-112) Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(C)cc1Nc1ncc(OC(F)F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C29H38F2N6O4S/c1-18(2)42(38,39)26-10-8-7-9-21(26)33-27-25(41-28(30)31)17-32-29(35-27)34-22-15-19(3)23(16-24(22)40-6)37-13-11-20(12-14-37)36(4)5/h7-10,15-18,20,28H,11-14H2,1-6H3,(H2,32,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid 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) BindingDB Entry DOI: 10.7270/Q2M90CQ8
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM448474 (US10695347, Compound I-112) Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(C)cc1Nc1ncc(OC(F)F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C29H38F2N6O4S/c1-18(2)42(38,39)26-10-8-7-9-21(26)33-27-25(41-28(30)31)17-32-29(35-27)34-22-15-19(3)23(16-24(22)40-6)37-13-11-20(12-14-37)36(4)5/h7-10,15-18,20,28H,11-14H2,1-6H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid 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) BindingDB Entry DOI: 10.7270/Q2M90CQ8
					More data for this Ligand-Target Pair