Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50046789   

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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131218 (CHEMBL3634406) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3ccc(Cl)cc3Cl)c12 Show InChI InChI=1S/C25H21Cl2N5O2/c26-17-8-9-19(20(27)14-17)25(34)32-12-10-31(11-13-32)24(33)16-6-4-15(5-7-16)18-2-1-3-21-22(18)23(28)30-29-21/h1-9,14H,10-13H2,(H3,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131175 (CHEMBL3634540) Show SMILES Cc1ccccc1C(=O)NCCNC(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C24H23N5O2/c1-15-5-2-3-6-18(15)24(31)27-14-13-26-23(30)17-11-9-16(10-12-17)19-7-4-8-20-21(19)22(25)29-28-20/h2-12H,13-14H2,1H3,(H,26,30)(H,27,31)(H3,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131176 (CHEMBL3634539) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)NCCNC(=O)c3ccccc3Br)c12 Show InChI InChI=1S/C23H20BrN5O2/c24-18-6-2-1-4-17(18)23(31)27-13-12-26-22(30)15-10-8-14(9-11-15)16-5-3-7-19-20(16)21(25)29-28-19/h1-11H,12-13H2,(H,26,30)(H,27,31)(H3,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131215 (CHEMBL3634409) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3ccccc3Cl)c12 Show InChI InChI=1S/C25H22ClN5O2/c26-20-6-2-1-4-19(20)25(33)31-14-12-30(13-15-31)24(32)17-10-8-16(9-11-17)18-5-3-7-21-22(18)23(27)29-28-21/h1-11H,12-15H2,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131217 (CHEMBL3634407) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3cccc(F)c3)c12 Show InChI InChI=1S/C25H22FN5O2/c26-19-4-1-3-18(15-19)25(33)31-13-11-30(12-14-31)24(32)17-9-7-16(8-10-17)20-5-2-6-21-22(20)23(27)29-28-21/h1-10,15H,11-14H2,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131214 (CHEMBL3634530) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3ccccc3Br)c12 Show InChI InChI=1S/C25H22BrN5O2/c26-20-6-2-1-4-19(20)25(33)31-14-12-30(13-15-31)24(32)17-10-8-16(9-11-17)18-5-3-7-21-22(18)23(27)29-28-21/h1-11H,12-15H2,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131172 (CHEMBL3634543) Show SMILES COc1ccccc1C(=O)NCCNC(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C24H23N5O3/c1-32-20-8-3-2-5-18(20)24(31)27-14-13-26-23(30)16-11-9-15(10-12-16)17-6-4-7-19-21(17)22(25)29-28-19/h2-12H,13-14H2,1H3,(H,26,30)(H,27,31)(H3,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131174 (CHEMBL3634541) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)NCCNC(=O)c3cccc(c3)C(F)(F)F)c12 Show InChI InChI=1S/C24H20F3N5O2/c25-24(26,27)17-4-1-3-16(13-17)23(34)30-12-11-29-22(33)15-9-7-14(8-10-15)18-5-2-6-19-20(18)21(28)32-31-19/h1-10,13H,11-12H2,(H,29,33)(H,30,34)(H3,28,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131218 (CHEMBL3634406) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3ccc(Cl)cc3Cl)c12 Show InChI InChI=1S/C25H21Cl2N5O2/c26-17-8-9-19(20(27)14-17)25(34)32-12-10-31(11-13-32)24(33)16-6-4-15(5-7-16)18-2-1-3-21-22(18)23(28)30-29-21/h1-9,14H,10-13H2,(H3,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131214 (CHEMBL3634530) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3ccccc3Br)c12 Show InChI InChI=1S/C25H22BrN5O2/c26-20-6-2-1-4-19(20)25(33)31-14-12-30(13-15-31)24(32)17-10-8-16(9-11-17)18-5-3-7-21-22(18)23(27)29-28-21/h1-11H,12-15H2,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131176 (CHEMBL3634539) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)NCCNC(=O)c3ccccc3Br)c12 Show InChI InChI=1S/C23H20BrN5O2/c24-18-6-2-1-4-17(18)23(31)27-13-12-26-22(30)15-10-8-14(9-11-15)16-5-3-7-19-20(16)21(25)29-28-19/h1-11H,12-13H2,(H,26,30)(H,27,31)(H3,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131184 (CHEMBL3634535) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3ccc(Cl)cc3)c12 Show InChI InChI=1S/C25H22ClN5O2/c26-19-10-8-18(9-11-19)25(33)31-14-12-30(13-15-31)24(32)17-6-4-16(5-7-17)20-2-1-3-21-22(20)23(27)29-28-21/h1-11H,12-15H2,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131217 (CHEMBL3634407) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3cccc(F)c3)c12 Show InChI InChI=1S/C25H22FN5O2/c26-19-4-1-3-18(15-19)25(33)31-13-11-30(12-14-31)24(32)17-9-7-16(8-10-17)20-5-2-6-21-22(20)23(27)29-28-21/h1-10,15H,11-14H2,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131191 (CHEMBL3634534) Show SMILES Cc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O2/c1-17-4-2-5-20(16-17)26(33)31-14-12-30(13-15-31)25(32)19-10-8-18(9-11-19)21-6-3-7-22-23(21)24(27)29-28-22/h2-11,16H,12-15H2,1H3,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131212 (CHEMBL3634531) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3cccc(c3)C(F)(F)F)c12 Show InChI InChI=1S/C26H22F3N5O2/c27-26(28,29)19-4-1-3-18(15-19)25(36)34-13-11-33(12-14-34)24(35)17-9-7-16(8-10-17)20-5-2-6-21-22(20)23(30)32-31-21/h1-10,15H,11-14H2,(H3,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131215 (CHEMBL3634409) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3ccccc3Cl)c12 Show InChI InChI=1S/C25H22ClN5O2/c26-20-6-2-1-4-19(20)25(33)31-14-12-30(13-15-31)24(32)17-10-8-16(9-11-17)18-5-3-7-21-22(18)23(27)29-28-21/h1-11H,12-15H2,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131178 (CHEMBL3634537) Show SMILES Cc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O2/c1-17-5-2-3-6-20(17)26(33)31-15-13-30(14-16-31)25(32)19-11-9-18(10-12-19)21-7-4-8-22-23(21)24(27)29-28-22/h2-12H,13-16H2,1H3,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131177 (CHEMBL3634538) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)NCCNC(=O)c3ccc(F)c(F)c3)c12 Show InChI InChI=1S/C23H19F2N5O2/c24-17-9-8-15(12-18(17)25)23(32)28-11-10-27-22(31)14-6-4-13(5-7-14)16-2-1-3-19-20(16)21(26)30-29-19/h1-9,12H,10-11H2,(H,27,31)(H,28,32)(H3,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131179 (CHEMBL3634536) Show SMILES COc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O3/c1-34-22-8-3-2-5-20(22)26(33)31-15-13-30(14-16-31)25(32)18-11-9-17(10-12-18)19-6-4-7-21-23(19)24(27)29-28-21/h2-12H,13-16H2,1H3,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131175 (CHEMBL3634540) Show SMILES Cc1ccccc1C(=O)NCCNC(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C24H23N5O2/c1-15-5-2-3-6-18(15)24(31)27-14-13-26-23(30)17-11-9-16(10-12-17)19-7-4-8-20-21(19)22(25)29-28-20/h2-12H,13-14H2,1H3,(H,26,30)(H,27,31)(H3,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131216 (CHEMBL3634408) Show SMILES COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O3/c1-34-20-5-2-4-19(16-20)26(33)31-14-12-30(13-15-31)25(32)18-10-8-17(9-11-18)21-6-3-7-22-23(21)24(27)29-28-22/h2-11,16H,12-15H2,1H3,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131174 (CHEMBL3634541) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)NCCNC(=O)c3cccc(c3)C(F)(F)F)c12 Show InChI InChI=1S/C24H20F3N5O2/c25-24(26,27)17-4-1-3-16(13-17)23(34)30-12-11-29-22(33)15-9-7-14(8-10-15)18-5-2-6-19-20(18)21(28)32-31-19/h1-10,13H,11-12H2,(H,29,33)(H,30,34)(H3,28,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131184 (CHEMBL3634535) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3ccc(Cl)cc3)c12 Show InChI InChI=1S/C25H22ClN5O2/c26-19-10-8-18(9-11-19)25(33)31-14-12-30(13-15-31)24(32)17-6-4-16(5-7-17)20-2-1-3-21-22(20)23(27)29-28-21/h1-11H,12-15H2,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131177 (CHEMBL3634538) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)NCCNC(=O)c3ccc(F)c(F)c3)c12 Show InChI InChI=1S/C23H19F2N5O2/c24-17-9-8-15(12-18(17)25)23(32)28-11-10-27-22(31)14-6-4-13(5-7-14)16-2-1-3-19-20(16)21(26)30-29-19/h1-9,12H,10-11H2,(H,27,31)(H,28,32)(H3,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131211 (CHEMBL3634532) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3ccc(F)c(F)c3)c12 Show InChI InChI=1S/C25H21F2N5O2/c26-19-9-8-17(14-20(19)27)25(34)32-12-10-31(11-13-32)24(33)16-6-4-15(5-7-16)18-2-1-3-21-22(18)23(28)30-29-21/h1-9,14H,10-13H2,(H3,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131212 (CHEMBL3634531) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3cccc(c3)C(F)(F)F)c12 Show InChI InChI=1S/C26H22F3N5O2/c27-26(28,29)19-4-1-3-18(15-19)25(36)34-13-11-33(12-14-34)24(35)17-9-7-16(8-10-17)20-5-2-6-21-22(20)23(30)32-31-21/h1-10,15H,11-14H2,(H3,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131173 (CHEMBL3634542) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)NCCNC(=O)c3cccc(F)c3)c12 Show InChI InChI=1S/C23H20FN5O2/c24-17-4-1-3-16(13-17)23(31)27-12-11-26-22(30)15-9-7-14(8-10-15)18-5-2-6-19-20(18)21(25)29-28-19/h1-10,13H,11-12H2,(H,26,30)(H,27,31)(H3,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131172 (CHEMBL3634543) Show SMILES COc1ccccc1C(=O)NCCNC(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C24H23N5O3/c1-32-20-8-3-2-5-18(20)24(31)27-14-13-26-23(30)16-11-9-15(10-12-16)17-6-4-7-19-21(17)22(25)29-28-19/h2-12H,13-14H2,1H3,(H,26,30)(H,27,31)(H3,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131216 (CHEMBL3634408) Show SMILES COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O3/c1-34-20-5-2-4-19(16-20)26(33)31-14-12-30(13-15-31)25(32)18-10-8-17(9-11-18)21-6-3-7-22-23(21)24(27)29-28-22/h2-11,16H,12-15H2,1H3,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131210 (CHEMBL3634533) Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O3/c1-34-20-11-9-19(10-12-20)26(33)31-15-13-30(14-16-31)25(32)18-7-5-17(6-8-18)21-3-2-4-22-23(21)24(27)29-28-22/h2-12H,13-16H2,1H3,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of wild type Bcr-Abl (unknown origin) by ADP-Glo assay				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131213 (CHEMBL3632643) Show SMILES COc1cc(OC)cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C27H27N5O4/c1-35-20-14-19(15-21(16-20)36-2)27(34)32-12-10-31(11-13-32)26(33)18-8-6-17(7-9-18)22-4-3-5-23-24(22)25(28)30-29-23/h3-9,14-16H,10-13H2,1-2H3,(H3,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl T315I mutant (unknown origin) by ADP-Glo assay				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131211 (CHEMBL3634532) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3ccc(F)c(F)c3)c12 Show InChI InChI=1S/C25H21F2N5O2/c26-19-9-8-17(14-20(19)27)25(34)32-12-10-31(11-13-32)24(33)16-6-4-15(5-7-16)18-2-1-3-21-22(18)23(28)30-29-21/h1-9,14H,10-13H2,(H3,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131065 (CHEMBL3634544) Show SMILES COc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C24H23N5O3/c1-32-18-11-9-17(10-12-18)24(31)27-14-13-26-23(30)16-7-5-15(6-8-16)19-3-2-4-20-21(19)22(25)29-28-20/h2-12H,13-14H2,1H3,(H,26,30)(H,27,31)(H3,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131065 (CHEMBL3634544) Show SMILES COc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C24H23N5O3/c1-32-18-11-9-17(10-12-18)24(31)27-14-13-26-23(30)16-7-5-15(6-8-16)19-3-2-4-20-21(19)22(25)29-28-20/h2-12H,13-14H2,1H3,(H,26,30)(H,27,31)(H3,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131179 (CHEMBL3634536) Show SMILES COc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O3/c1-34-22-8-3-2-5-20(22)26(33)31-15-13-30(14-16-31)25(32)18-11-9-17(10-12-18)19-6-4-7-21-23(19)24(27)29-28-21/h2-12H,13-16H2,1H3,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131178 (CHEMBL3634537) Show SMILES Cc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O2/c1-17-5-2-3-6-20(17)26(33)31-15-13-30(14-16-31)25(32)19-11-9-18(10-12-19)21-7-4-8-22-23(21)24(27)29-28-22/h2-12H,13-16H2,1H3,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131191 (CHEMBL3634534) Show SMILES Cc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O2/c1-17-4-2-5-20(16-17)26(33)31-14-12-30(13-15-31)25(32)19-10-8-18(9-11-19)21-6-3-7-22-23(21)24(27)29-28-22/h2-11,16H,12-15H2,1H3,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131210 (CHEMBL3634533) Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O3/c1-34-20-11-9-19(10-12-20)26(33)31-15-13-30(14-16-31)25(32)18-7-5-17(6-8-18)21-3-2-4-22-23(21)24(27)29-28-22/h2-12H,13-16H2,1H3,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair