null

SMILES: COc1cc(C2=CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cccnc2S(=O)(=O)C(C)C)n1

InChI Key: InChIKey=HCHXDNNFXFFWRO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 448461   

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))	BDBM448461 (US10695347, Compound I-89) Show SMILES COc1cc(C2=CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cccnc2S(=O)(=O)C(C)C)n1 |t:5| Show InChI InChI=1S/C25H29ClN6O3S/c1-15(2)36(33,34)24-20(6-5-9-28-24)30-23-19(26)14-29-25(32-23)31-21-12-16(3)18(13-22(21)35-4)17-7-10-27-11-8-17/h5-7,9,12-15,27H,8,10-11H2,1-4H3,(H2,29,30,31,32)	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)
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM448461 (US10695347, Compound I-89) Show SMILES COc1cc(C2=CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cccnc2S(=O)(=O)C(C)C)n1 |t:5| Show InChI InChI=1S/C25H29ClN6O3S/c1-15(2)36(33,34)24-20(6-5-9-28-24)30-23-19(26)14-29-25(32-23)31-21-12-16(3)18(13-22(21)35-4)17-7-10-27-11-8-17/h5-7,9,12-15,27H,8,10-11H2,1-4H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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)
					More data for this Ligand-Target Pair