Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50046504   

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))	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117283 (CHEMBL3613510) Show SMILES COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nccs1 Show InChI InChI=1S/C22H21N3O3S/c1-28-19-4-2-3-18(15-19)22(27)25-12-10-24(11-13-25)21(26)17-7-5-16(6-8-17)20-23-9-14-29-20/h2-9,14-15H,10-13H2,1H3	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117286 (CHEMBL3357281) Show SMILES Fc1cccc(Nc2cc(ncn2)-c2ccc(cc2)C(=O)N2CCN(CC2)C(=O)c2ccccc2F)c1 Show InChI InChI=1S/C28H23F2N5O2/c29-21-4-3-5-22(16-21)33-26-17-25(31-18-32-26)19-8-10-20(11-9-19)27(36)34-12-14-35(15-13-34)28(37)23-6-1-2-7-24(23)30/h1-11,16-18H,12-15H2,(H,31,32,33)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117282 (CHEMBL3613488) Show SMILES COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C24H23N3O3/c1-30-21-6-4-5-20(17-21)24(29)27-15-13-26(14-16-27)23(28)19-10-8-18(9-11-19)22-7-2-3-12-25-22/h2-12,17H,13-16H2,1H3	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	66	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117273 (CHEMBL3613506) Show SMILES Brc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C22H19BrN2O2S/c23-19-9-7-18(8-10-19)22(27)25-13-11-24(12-14-25)21(26)17-5-3-16(4-6-17)20-2-1-15-28-20/h1-10,15H,11-14H2	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	73	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117287 (CHEMBL3613495) Show SMILES Cc1ccnc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H22F3N3O2/c1-17-9-10-29-22(15-17)18-5-7-19(8-6-18)23(32)30-11-13-31(14-12-30)24(33)20-3-2-4-21(16-20)25(26,27)28/h2-10,15-16H,11-14H2,1H3	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	112	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117276 (CHEMBL3613502) Show SMILES COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(C)nc1 Show InChI InChI=1S/C25H25N3O3/c1-18-6-7-22(17-26-18)19-8-10-20(11-9-19)24(29)27-12-14-28(15-13-27)25(30)21-4-3-5-23(16-21)31-2/h3-11,16-17H,12-15H2,1-2H3	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	143	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117293 (CHEMBL3613492) Show SMILES Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C23H20FN3O2/c24-21-5-1-3-19(15-21)23(29)27-13-11-26(12-14-27)22(28)18-8-6-17(7-9-18)20-4-2-10-25-16-20/h1-10,15-16H,11-14H2	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	276	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117284 (CHEMBL3613507) Show SMILES CN(C)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C24H25N3O2S/c1-25(2)21-6-3-5-20(17-21)24(29)27-14-12-26(13-15-27)23(28)19-10-8-18(9-11-19)22-7-4-16-30-22/h3-11,16-17H,12-15H2,1-2H3	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	321	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117295 (CHEMBL3613511) Show SMILES Brc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nccs1 Show InChI InChI=1S/C21H18BrN3O2S/c22-18-7-5-17(6-8-18)21(27)25-12-10-24(11-13-25)20(26)16-3-1-15(2-4-16)19-23-9-14-28-19/h1-9,14H,10-13H2	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	421	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117270 (CHEMBL3613497) Show SMILES COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cc(C)ccn1 Show InChI InChI=1S/C25H25N3O3/c1-18-10-11-26-23(16-18)19-6-8-20(9-7-19)24(29)27-12-14-28(15-13-27)25(30)21-4-3-5-22(17-21)31-2/h3-11,16-17H,12-15H2,1-2H3	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	940	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117294 (CHEMBL3613489) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C27H29N3O2/c1-27(2,3)23-13-11-22(12-14-23)26(32)30-18-16-29(17-19-30)25(31)21-9-7-20(8-10-21)24-6-4-5-15-28-24/h4-15H,16-19H2,1-3H3	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	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117297 (CHEMBL3613512) Show SMILES CN(C)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nccs1 Show InChI InChI=1S/C23H24N4O2S/c1-25(2)20-5-3-4-19(16-20)23(29)27-13-11-26(12-14-27)22(28)18-8-6-17(7-9-18)21-24-10-15-30-21/h3-10,15-16H,11-14H2,1-2H3	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	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117274 (CHEMBL3613504) Show SMILES Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C22H19FN2O2S/c23-19-4-1-3-18(15-19)22(27)25-12-10-24(11-13-25)21(26)17-8-6-16(7-9-17)20-5-2-14-28-20/h1-9,14-15H,10-13H2	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	5.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117290 (CHEMBL3613494) Show SMILES CN(C)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C25H26N4O2/c1-27(2)23-7-3-5-21(17-23)25(31)29-15-13-28(14-16-29)24(30)20-10-8-19(9-11-20)22-6-4-12-26-18-22/h3-12,17-18H,13-16H2,1-2H3	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	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117269 (CHEMBL3613499) Show SMILES CN(C)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cc(C)ccn1 Show InChI InChI=1S/C26H28N4O2/c1-19-11-12-27-24(17-19)20-7-9-21(10-8-20)25(31)29-13-15-30(16-14-29)26(32)22-5-4-6-23(18-22)28(2)3/h4-12,17-18H,13-16H2,1-3H3	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	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117296 (CHEMBL3613490) Show SMILES CN(C)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C25H26N4O2/c1-27(2)22-7-5-6-21(18-22)25(31)29-16-14-28(15-17-29)24(30)20-11-9-19(10-12-20)23-8-3-4-13-26-23/h3-13,18H,14-17H2,1-2H3	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	4.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117289 (CHEMBL3613493) Show SMILES COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C24H23N3O3/c1-30-22-6-2-4-20(16-22)24(29)27-14-12-26(13-15-27)23(28)19-9-7-18(8-10-19)21-5-3-11-25-17-21/h2-11,16-17H,12-15H2,1H3	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	6.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117288 (CHEMBL3613496) Show SMILES Cc1ccnc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1 Show InChI InChI=1S/C24H22FN3O2/c1-17-9-10-26-22(15-17)18-5-7-19(8-6-18)23(29)27-11-13-28(14-12-27)24(30)20-3-2-4-21(25)16-20/h2-10,15-16H,11-14H2,1H3	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	6.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117275 (CHEMBL3613505) Show SMILES COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C23H22N2O3S/c1-28-20-5-2-4-19(16-20)23(27)25-13-11-24(12-14-25)22(26)18-9-7-17(8-10-18)21-6-3-15-29-21/h2-10,15-16H,11-14H2,1H3	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	8.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117280 (CHEMBL3613509) Show SMILES Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nccs1 Show InChI InChI=1S/C21H18FN3O2S/c22-18-3-1-2-17(14-18)21(27)25-11-9-24(10-12-25)20(26)16-6-4-15(5-7-16)19-23-8-13-28-19/h1-8,13-14H,9-12H2	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	4.44E+5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117292 (CHEMBL3613513) Show SMILES Clc1ccc(C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)-c2nccs2)c(Cl)c1 Show InChI InChI=1S/C21H17Cl2N3O2S/c22-16-5-6-17(18(23)13-16)21(28)26-10-8-25(9-11-26)20(27)15-3-1-14(2-4-15)19-24-7-12-29-19/h1-7,12-13H,8-11H2	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	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117279 (CHEMBL3613501) Show SMILES Cc1ccc(cn1)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1 Show InChI InChI=1S/C24H22FN3O2/c1-17-5-6-21(16-26-17)18-7-9-19(10-8-18)23(29)27-11-13-28(14-12-27)24(30)20-3-2-4-22(25)15-20/h2-10,15-16H,11-14H2,1H3	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	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117277 (CHEMBL3613503) Show SMILES CN(C)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(C)nc1 Show InChI InChI=1S/C26H28N4O2/c1-19-7-8-23(18-27-19)20-9-11-21(12-10-20)25(31)29-13-15-30(16-14-29)26(32)22-5-4-6-24(17-22)28(2)3/h4-12,17-18H,13-16H2,1-3H3	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	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117268 (CHEMBL3613498) Show SMILES Cc1ccnc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C28H31N3O2/c1-20-13-14-29-25(19-20)21-5-7-22(8-6-21)26(32)30-15-17-31(18-16-30)27(33)23-9-11-24(12-10-23)28(2,3)4/h5-14,19H,15-18H2,1-4H3	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	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50117272 (CHEMBL3613487) Show SMILES FC(F)(F)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C24H20F3N3O2/c25-24(26,27)20-5-3-4-19(16-20)23(32)30-14-12-29(13-15-30)22(31)18-9-7-17(8-10-18)21-6-1-2-11-28-21/h1-11,16H,12-15H2	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	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) Article DOI: 10.1016/j.ejmech.2015.07.015 BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair