Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor [L1196M]' and Ligand = 'BDBM261689'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM261689 (US9708295, 30) Show SMILES COc1cc(cnc1C1=CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r,t:9| Show InChI InChI=1S/C24H23Cl2FN4O2/c1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14/h3-5,9-13,29H,6-8H2,1-2H3,(H2,28,31)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
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