Compile Data Set for Download or QSAR

Found 120 hits Enz. Inhib. hit(s) with all data for entry = 50047483   

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 (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin)				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of TRKA (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170106 (CHEMBL3805643) Show SMILES Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(cc4NC4CCOCC4)N4CCNCC4)c3c2)c1 Show InChI InChI=1S/C30H32F2N6O2/c31-21-14-20(15-22(32)17-21)13-19-1-4-27-26(16-19)29(37-36-27)35-30(39)25-3-2-24(38-9-7-33-8-10-38)18-28(25)34-23-5-11-40-12-6-23/h1-4,14-18,23,33-34H,5-13H2,(H2,35,36,37,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant human TRKB incubated for 90 mins by selectscreen kinase assay				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of human TEL (336 residues) fused-TRKC (454 to 825 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibi...				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of human TEL (336 residues) fused-TRKB (455 to 822 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibi...				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of human TEL (336 residues) fused-TRKA (440 to 796 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibi...				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of human TEL (336 residues) fused-ROS1 (1891 to 2347 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhi...				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant human TRKC incubated for 90 mins by selectscreen kinase assay				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of ROS1 (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170108 (CHEMBL3806122) Show SMILES CN1CCC(CC1)Oc1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C32H35F2N5O3/c1-39-10-6-25(7-11-39)42-26-3-4-27(30(19-26)35-24-8-12-41-13-9-24)32(40)36-31-28-17-20(2-5-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2-5,15-19,24-25,35H,6-14H2,1H3,(H2,36,37,38,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170102 (CHEMBL3805123) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:34.37,wD:37.41,(6.99,12.97,;6.61,11.8,;7.64,10.66,;7.17,9.19,;5.66,8.87,;4.63,10.01,;5.1,11.48,;5.18,7.41,;3.68,7.09,;3.2,5.62,;4.23,4.48,;3.75,3.01,;4.57,2.1,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-6.34,-2.81,;-7.7,-.82,;-7.71,.72,;-8.79,1.32,;-6.39,1.5,;-1.03,1.55,;.3,.77,;5.73,4.8,;6.77,3.65,;8.27,3.97,;8.75,5.44,;10.25,5.76,;11.29,4.62,;12.49,4.88,;10.81,3.16,;9.31,2.83,;6.21,6.26,)| Show InChI InChI=1S/C32H36F2N6O2/c1-39-10-12-40(13-11-39)25-5-8-27(30(19-25)35-24-3-6-26(41)7-4-24)32(42)36-31-28-17-20(2-9-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2,5,8-9,15-19,24,26,35,41H,3-4,6-7,10-14H2,1H3,(H2,36,37,38,42)/t24-,26-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170100 (CHEMBL3805899) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NCCF)c1 Show InChI InChI=1S/C28H29F3N6O/c1-36-8-10-37(11-9-36)22-3-4-23(26(17-22)32-7-6-29)28(38)33-27-24-15-18(2-5-25(24)34-35-27)12-19-13-20(30)16-21(31)14-19/h2-5,13-17,32H,6-12H2,1H3,(H2,33,34,35,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170104 (CHEMBL3805020) Show SMILES CN1CCC(CC1)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C32H37F2N7O/c1-39-9-7-25(8-10-39)35-30-20-26(41-13-11-40(2)12-14-41)4-5-27(30)32(42)36-31-28-18-21(3-6-29(28)37-38-31)15-22-16-23(33)19-24(34)17-22/h3-6,16-20,25,35H,7-15H2,1-2H3,(H2,36,37,38,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170105 (CHEMBL3805741) Show SMILES CN(C)CCN(C)C(=O)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C32H36F2N6O3/c1-39(2)10-11-40(3)32(42)22-5-6-26(29(18-22)35-25-8-12-43-13-9-25)31(41)36-30-27-17-20(4-7-28(27)37-38-30)14-21-15-23(33)19-24(34)16-21/h4-7,15-19,25,35H,8-14H2,1-3H3,(H2,36,37,38,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170107 (CHEMBL3806112) Show SMILES Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(CN5CCCCC5)cc4NC4CCOCC4)c3c2)c1 Show InChI InChI=1S/C32H35F2N5O2/c33-24-15-23(16-25(34)19-24)14-21-5-7-29-28(17-21)31(38-37-29)36-32(40)27-6-4-22(20-39-10-2-1-3-11-39)18-30(27)35-26-8-12-41-13-9-26/h4-7,15-19,26,35H,1-3,8-14,20H2,(H2,36,37,38,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170077 (CHEMBL3805214) Show SMILES C[C@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H36F2N6O2/c1-20(22-15-23(33)18-24(34)16-22)21-3-6-29-28(17-21)31(38-37-29)36-32(41)27-5-4-26(40-11-9-39(2)10-12-40)19-30(27)35-25-7-13-42-14-8-25/h3-6,15-20,25,35H,7-14H2,1-2H3,(H2,36,37,38,41)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170112 (CHEMBL3805749) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NCCO)c1 Show InChI InChI=1S/C28H30F2N6O2/c1-35-7-9-36(10-8-35)22-3-4-23(26(17-22)31-6-11-37)28(38)32-27-24-15-18(2-5-25(24)33-34-27)12-19-13-20(29)16-21(30)14-19/h2-5,13-17,31,37H,6-12H2,1H3,(H2,32,33,34,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50170106 (CHEMBL3805643) Show SMILES Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(cc4NC4CCOCC4)N4CCNCC4)c3c2)c1 Show InChI InChI=1S/C30H32F2N6O2/c31-21-14-20(15-22(32)17-21)13-19-1-4-27-26(16-19)29(37-36-27)35-30(39)25-3-2-24(38-9-7-33-8-10-38)18-28(25)34-23-5-11-40-12-6-23/h1-4,14-18,23,33-34H,5-13H2,(H2,35,36,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170079 (CHEMBL3805002) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cccc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H35FN6O2/c1-37-11-13-38(14-12-37)25-6-7-26(29(20-25)33-24-9-15-40-16-10-24)31(39)34-30-27-19-22(5-8-28(27)35-36-30)17-21-3-2-4-23(32)18-21/h2-8,18-20,24,33H,9-17H2,1H3,(H2,34,35,36,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170080 (CHEMBL3805462) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)ccc4F)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-10-12-39(13-11-38)24-4-5-25(29(19-24)34-23-8-14-41-15-9-23)31(40)35-30-26-17-20(2-7-28(26)36-37-30)16-21-18-22(32)3-6-27(21)33/h2-7,17-19,23,34H,8-16H2,1H3,(H2,35,36,37,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50170106 (CHEMBL3805643) Show SMILES Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(cc4NC4CCOCC4)N4CCNCC4)c3c2)c1 Show InChI InChI=1S/C30H32F2N6O2/c31-21-14-20(15-22(32)17-21)13-19-1-4-27-26(16-19)29(37-36-27)35-30(39)25-3-2-24(38-9-7-33-8-10-38)18-28(25)34-23-5-11-40-12-6-23/h1-4,14-18,23,33-34H,5-13H2,(H2,35,36,37,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IR (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170076 (CHEMBL3804988) Show SMILES C[C@@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H36F2N6O2/c1-20(22-15-23(33)18-24(34)16-22)21-3-6-29-28(17-21)31(38-37-29)36-32(41)27-5-4-26(40-11-9-39(2)10-12-40)19-30(27)35-25-7-13-42-14-8-25/h3-6,15-20,25,35H,7-14H2,1-2H3,(H2,36,37,38,41)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170101 (CHEMBL3806280) Show SMILES CN1CC(CNc2cc(ccc2C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)N2CCN(C)CC2)C1 Show InChI InChI=1S/C31H35F2N7O/c1-38-7-9-40(10-8-38)25-4-5-26(29(16-25)34-17-22-18-39(2)19-22)31(41)35-30-27-14-20(3-6-28(27)36-37-30)11-21-12-23(32)15-24(33)13-21/h3-6,12-16,22,34H,7-11,17-19H2,1-2H3,(H2,35,36,37,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170081 (CHEMBL3805516) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N)c1 Show InChI InChI=1S/C26H26F2N6O/c1-33-6-8-34(9-7-33)20-3-4-21(23(29)15-20)26(35)30-25-22-13-16(2-5-24(22)31-32-25)10-17-11-18(27)14-19(28)12-17/h2-5,11-15H,6-10,29H2,1H3,(H2,30,31,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Activated CDC42 kinase 1 (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of ACK1 (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170109 (CHEMBL3805786) Show SMILES COC[C@@H](C)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 |r| Show InChI InChI=1S/C30H34F2N6O2/c1-19(18-40-3)33-28-17-24(38-10-8-37(2)9-11-38)5-6-25(28)30(39)34-29-26-15-20(4-7-27(26)35-36-29)12-21-13-22(31)16-23(32)14-21/h4-7,13-17,19,33H,8-12,18H2,1-3H3,(H2,34,35,36,39)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM158155 (US10081622, Compound 4 | US9029356, 4 | US9255087,...) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12 Show InChI InChI=1S/C26H25F2N5O/c1-32-8-10-33(11-9-32)22-5-3-19(4-6-22)26(34)29-25-23-15-17(2-7-24(23)30-31-25)12-18-13-20(27)16-21(28)14-18/h2-7,13-16H,8-12H2,1H3,(H2,29,30,31,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170103 (CHEMBL3805129) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@@H]2CC[C@H](O)CC2)c1 |r,wU:37.41,34.37,(6.99,12.97,;6.61,11.8,;7.64,10.66,;7.17,9.19,;5.66,8.87,;4.63,10.01,;5.1,11.48,;5.18,7.41,;3.68,7.09,;3.2,5.62,;4.23,4.48,;3.75,3.01,;4.57,2.1,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-6.34,-2.81,;-7.7,-.82,;-7.71,.72,;-8.79,1.32,;-6.39,1.5,;-1.03,1.55,;.3,.77,;5.73,4.8,;6.77,3.65,;8.27,3.97,;9.31,2.83,;10.81,3.16,;11.29,4.62,;12.49,4.88,;10.25,5.76,;8.75,5.44,;6.21,6.26,)| Show InChI InChI=1S/C32H36F2N6O2/c1-39-10-12-40(13-11-39)25-5-8-27(30(19-25)35-24-3-6-26(41)7-4-24)32(42)36-31-28-17-20(2-9-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2,5,8-9,15-19,24,26,35,41H,3-4,6-7,10-14H2,1H3,(H2,36,37,38,42)/t24-,26+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170111 (CHEMBL3805254) Show SMILES COCC(COC)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C31H36F2N6O3/c1-38-8-10-39(11-9-38)25-5-6-26(29(17-25)34-24(18-41-2)19-42-3)31(40)35-30-27-15-20(4-7-28(27)36-37-30)12-21-13-22(32)16-23(33)14-21/h4-7,13-17,24,34H,8-12,18-19H2,1-3H3,(H2,35,36,37,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170078 (CHEMBL3806196) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4ccccc4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H36N6O2/c1-36-13-15-37(16-14-36)25-8-9-26(29(21-25)32-24-11-17-39-18-12-24)31(38)33-30-27-20-23(7-10-28(27)34-35-30)19-22-5-3-2-4-6-22/h2-10,20-21,24,32H,11-19H2,1H3,(H2,33,34,35,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50170102 (CHEMBL3805123) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:34.37,wD:37.41,(6.99,12.97,;6.61,11.8,;7.64,10.66,;7.17,9.19,;5.66,8.87,;4.63,10.01,;5.1,11.48,;5.18,7.41,;3.68,7.09,;3.2,5.62,;4.23,4.48,;3.75,3.01,;4.57,2.1,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-6.34,-2.81,;-7.7,-.82,;-7.71,.72,;-8.79,1.32,;-6.39,1.5,;-1.03,1.55,;.3,.77,;5.73,4.8,;6.77,3.65,;8.27,3.97,;8.75,5.44,;10.25,5.76,;11.29,4.62,;12.49,4.88,;10.81,3.16,;9.31,2.83,;6.21,6.26,)| Show InChI InChI=1S/C32H36F2N6O2/c1-39-10-12-40(13-11-39)25-5-8-27(30(19-25)35-24-3-6-26(41)7-4-24)32(42)36-31-28-17-20(2-9-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2,5,8-9,15-19,24,26,35,41H,3-4,6-7,10-14H2,1H3,(H2,36,37,38,42)/t24-,26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170110 (CHEMBL3806013) Show SMILES COCCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C30H34F2N6O2/c1-37-9-11-38(12-10-37)24-5-6-25(28(19-24)33-8-3-13-40-2)30(39)34-29-26-17-20(4-7-27(26)35-36-29)14-21-15-22(31)18-23(32)16-21/h4-7,15-19,33H,3,8-14H2,1-2H3,(H2,34,35,36,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50170077 (CHEMBL3805214) Show SMILES C[C@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H36F2N6O2/c1-20(22-15-23(33)18-24(34)16-22)21-3-6-29-28(17-21)31(38-37-29)36-32(41)27-5-4-26(40-11-9-39(2)10-12-40)19-30(27)35-25-7-13-42-14-8-25/h3-6,15-20,25,35H,7-14H2,1-2H3,(H2,36,37,38,41)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50170080 (CHEMBL3805462) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)ccc4F)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-10-12-39(13-11-38)24-4-5-25(29(19-24)34-23-8-14-41-15-9-23)31(40)35-30-26-17-20(2-7-28(26)36-37-30)16-21-18-22(32)3-6-27(21)33/h2-7,17-19,23,34H,8-16H2,1H3,(H2,35,36,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IR (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50170108 (CHEMBL3806122) Show SMILES CN1CCC(CC1)Oc1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C32H35F2N5O3/c1-39-10-6-25(7-11-39)42-26-3-4-27(30(19-26)35-24-8-12-41-13-9-24)32(40)36-31-28-17-20(2-5-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2-5,15-19,24-25,35H,6-14H2,1H3,(H2,36,37,38,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50170115 (CHEMBL3806045) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)ccc4C)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C32H37FN6O2/c1-21-3-5-24(33)19-23(21)17-22-4-8-29-28(18-22)31(37-36-29)35-32(40)27-7-6-26(39-13-11-38(2)12-14-39)20-30(27)34-25-9-15-41-16-10-25/h3-8,18-20,25,34H,9-17H2,1-2H3,(H2,35,36,37,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50170102 (CHEMBL3805123) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:34.37,wD:37.41,(6.99,12.97,;6.61,11.8,;7.64,10.66,;7.17,9.19,;5.66,8.87,;4.63,10.01,;5.1,11.48,;5.18,7.41,;3.68,7.09,;3.2,5.62,;4.23,4.48,;3.75,3.01,;4.57,2.1,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-6.34,-2.81,;-7.7,-.82,;-7.71,.72,;-8.79,1.32,;-6.39,1.5,;-1.03,1.55,;.3,.77,;5.73,4.8,;6.77,3.65,;8.27,3.97,;8.75,5.44,;10.25,5.76,;11.29,4.62,;12.49,4.88,;10.81,3.16,;9.31,2.83,;6.21,6.26,)| Show InChI InChI=1S/C32H36F2N6O2/c1-39-10-12-40(13-11-39)25-5-8-27(30(19-25)35-24-3-6-26(41)7-4-24)32(42)36-31-28-17-20(2-9-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2,5,8-9,15-19,24,26,35,41H,3-4,6-7,10-14H2,1H3,(H2,36,37,38,42)/t24-,26-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IR (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50170077 (CHEMBL3805214) Show SMILES C[C@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H36F2N6O2/c1-20(22-15-23(33)18-24(34)16-22)21-3-6-29-28(17-21)31(38-37-29)36-32(41)27-5-4-26(40-11-9-39(2)10-12-40)19-30(27)35-25-7-13-42-14-8-25/h3-6,15-20,25,35H,7-14H2,1-2H3,(H2,36,37,38,41)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IR (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of BRK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50170108 (CHEMBL3806122) Show SMILES CN1CCC(CC1)Oc1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C32H35F2N5O3/c1-39-10-6-25(7-11-39)42-26-3-4-27(30(19-26)35-24-8-12-41-13-9-24)32(40)36-31-28-17-20(2-5-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2-5,15-19,24-25,35H,6-14H2,1H3,(H2,36,37,38,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	196	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IR (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50170079 (CHEMBL3805002) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cccc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H35FN6O2/c1-37-11-13-38(14-12-37)25-6-7-26(29(20-25)33-24-9-15-40-16-10-24)31(39)34-30-27-19-22(5-8-28(27)35-36-30)17-21-3-2-4-23(32)18-21/h2-8,18-20,24,33H,9-17H2,1H3,(H2,34,35,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50170104 (CHEMBL3805020) Show SMILES CN1CCC(CC1)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C32H37F2N7O/c1-39-9-7-25(8-10-39)35-30-20-26(41-13-11-40(2)12-14-41)4-5-27(30)32(42)36-31-28-18-21(3-6-29(28)37-38-31)15-22-16-23(33)19-24(34)17-22/h3-6,16-20,25,35H,7-15H2,1-2H3,(H2,36,37,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of IR (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
					More data for this Ligand-Target Pair

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