null

SMILES: COc1cc(CN2CCC(CC2)N(C)C)ccc1Nc1ncc(Cl)c(Nc2cccnc2S(=O)(=O)C(C)C)n1

InChI Key: InChIKey=UEKXEAIITZHJOY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 448470   

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))	BDBM448470 (US10695347, Compound I-107) Show SMILES COc1cc(CN2CCC(CC2)N(C)C)ccc1Nc1ncc(Cl)c(Nc2cccnc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H36ClN7O3S/c1-18(2)39(36,37)26-23(7-6-12-29-26)31-25-21(28)16-30-27(33-25)32-22-9-8-19(15-24(22)38-5)17-35-13-10-20(11-14-35)34(3)4/h6-9,12,15-16,18,20H,10-11,13-14,17H2,1-5H3,(H2,30,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM448470 (US10695347, Compound I-107) Show SMILES COc1cc(CN2CCC(CC2)N(C)C)ccc1Nc1ncc(Cl)c(Nc2cccnc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H36ClN7O3S/c1-18(2)39(36,37)26-23(7-6-12-29-26)31-25-21(28)16-30-27(33-25)32-22-9-8-19(15-24(22)38-5)17-35-13-10-20(11-14-35)34(3)4/h6-9,12,15-16,18,20H,10-11,13-14,17H2,1-5H3,(H2,30,31,32,33)	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