Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor (F1174L)'   

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 (F1174L) (Homo sapiens (Human))	BDBM261689 (US9708295, 30) Show SMILES COc1cc(cnc1C1=CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 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 UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	US Patent	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chia Tai Tianqing Pharmaceutical Group Co., Ltd US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (F1174L) (Homo sapiens (Human))	BDBM261711 (US9708295, 53) Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	US Patent	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chia Tai Tianqing Pharmaceutical Group Co., Ltd US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (F1174L) (Homo sapiens (Human))	BDBM199945 (US9226923, 3) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(C1)CCNCC2)c1c(Cl)ccc(F)c1Cl Show InChI InChI=1S/C24H26Cl2FN5O/c1-14(21-18(25)2-3-19(27)22(21)26)33-20-8-15(11-30-23(20)28)16-12-31-32(13-16)17-9-24(10-17)4-6-29-7-5-24/h2-3,8,11-14,17,29H,4-7,9-10H2,1H3,(H2,28,30)/t14-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Allgen Pharma Co. Ltd. US Patent					Assay Description The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...				US Patent US9226923 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (F1174L) (Homo sapiens (Human))	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Allgen Pharma Co. Ltd. US Patent					Assay Description The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...				US Patent US9226923 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
					More data for this Ligand-Target Pair				3D Structure (crystal)