Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50001114   

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
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of BMX (unknown origin)				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin)				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of Her2 (unknown origin)				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged BMX expressed in Sf21 cells preincubated for 5 mins followed by biotinyl-beta Abet...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged YES expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of BLK (unknown origin) preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assa...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged BTK expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged RET (658 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins fo...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Tec (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged TEC (174 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins f...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fgr (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged FGR (2 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins fol...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged MKK7beta (2 to end residues) expressed in Escherichia coli preincubated for 5 mins followed by ...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged LCK expressed in Sf21 insect cells preincubated for 5 mins followed by substrate a...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged SRC expressed in Sf21 insect cells preincubated for 5 mins followed by substrate a...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged HCK (230 to 497 residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins f...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged BRK expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	312	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged LYN expressed in Sf21 insect cells preincubated for 5 mins followed by His-tagged ...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	403	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged RIPK2 (1 to 299 residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins f...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged FYN expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase FRK (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged FRK (218 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins f...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	643	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged EGFR (696 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins f...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	802	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged ABL (27 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins fo...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase TXK (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	883	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged TXK (256 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins f...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of human N-terminal 6His-tagged HER4 (706 to 991 residues) preincubated for 5 mins followed by substrate addition after 30 to 60 mins in p...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of human C-terminal 6His-tagged Her2 (676 to end) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by biotinyl-...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase CSK (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CSK expressed in Escherichia coli BL21 (DE3) cells preincubated for 5 mins followed...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged FLT3 (564 to end residues) expressed in expressed in Sf21 cells preincubated for 5 mins followe...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins f...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged ITK (352 to 617 residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins f...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fer (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged FER (541 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins f...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged JAK3 (781 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins ...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged NEK2 expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed b...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of RSK1 (unknown origin) preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence ass...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Lysine--tRNA ligase (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged SYK expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of human PDGFRalpha expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins ...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged JAK2 (808 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins ...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged PLK1 expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate ...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50269615 (CHEMBL4095253) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r| Show InChI InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China. Curated by ChEMBL					Assay Description Inhibition of human JAK1 expressed in baculovirus in Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in ...				Bioorg Med Chem Lett 27: 4171-4175 (2017) Article DOI: 10.1016/j.bmcl.2017.07.009 BindingDB Entry DOI: 10.7270/Q2WW7M50
					More data for this Ligand-Target Pair