Compile Data Set for Download or QSAR

Found 117 hits of ic50 for UniProtKB: P00520   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50323918 (1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C Show InChI InChI=1S/C31H32N8O/c1-20-8-12-24(13-9-20)39-28(18-27(38-39)31(3,4)5)37-30(40)34-23-11-10-21(2)26(17-23)36-29-33-16-14-25(35-29)22-7-6-15-32-19-22/h6-19H,1-5H3,(H,33,35,36)(H2,34,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein kinase ABL1 (Mus musculus)	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10.8	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50490888 (CHEMBL2347725) Show SMILES COc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCN(C)CC3)sc2c1 Show InChI InChI=1S/C22H27N5O2S/c1-26-11-13-27(14-12-26)10-9-23-21(28)25-22-24-18-8-7-16(15-20(18)30-22)17-5-3-4-6-19(17)29-2/h3-8,15H,9-14H2,1-2H3,(H2,23,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50323919 (4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ur...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1 Show InChI InChI=1S/C28H30N6O3/c1-18-6-10-20(11-7-18)34-25(17-24(33-34)28(2,3)4)32-27(36)31-19-8-12-21(13-9-19)37-22-14-15-30-23(16-22)26(35)29-5/h6-17H,1-5H3,(H,29,35)(H2,31,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62.6	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50490888 (CHEMBL2347725) Show SMILES COc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCN(C)CC3)sc2c1 Show InChI InChI=1S/C22H27N5O2S/c1-26-11-13-27(14-12-26)10-9-23-21(28)25-22-24-18-8-7-16(15-20(18)30-22)17-5-3-4-6-19(17)29-2/h3-8,15H,9-14H2,1-2H3,(H2,23,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50490889 (CHEMBL2347723) Show SMILES COc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1 Show InChI InChI=1S/C17H17N3O3S/c1-23-14-5-3-2-4-12(14)11-6-7-13-15(10-11)24-17(19-13)20-16(22)18-8-9-21/h2-7,10,21H,8-9H2,1H3,(H2,18,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem		n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50490889 (CHEMBL2347723) Show SMILES COc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1 Show InChI InChI=1S/C17H17N3O3S/c1-23-14-5-3-2-4-12(14)11-6-7-13-15(10-11)24-17(19-13)20-16(22)18-8-9-21/h2-7,10,21H,8-9H2,1H3,(H2,18,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem		n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50323921 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)ccc1Cl Show InChI InChI=1S/C20H21ClF3N3O3/c21-18-6-3-15(13-17(18)20(22,23)24)26-19(28)25-14-1-4-16(5-2-14)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H2,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50468206 (CHEMBL4291675) Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C26H28N6O2S/c1-16-6-5-7-21(29-16)24-23(25-17(2)26(3,4)15-32(25)31-24)18-12-13-28-22(14-18)30-19-8-10-20(11-9-19)35(27,33)34/h5-14,17H,15H2,1-4H3,(H,28,30)(H2,27,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP				Eur J Med Chem 127: 632-642 (2017) Article DOI: 10.1016/j.ejmech.2017.01.018 BindingDB Entry DOI: 10.7270/Q29Z97MF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50323920 (CHEMBL1213975 | N-methyl-4-(4-(3-(4-((4-methylpipe...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1 Show InChI InChI=1S/C26H30N6O3/c1-27-25(33)24-17-23(11-12-28-24)35-22-9-7-21(8-10-22)30-26(34)29-20-5-3-19(4-6-20)18-32-15-13-31(2)14-16-32/h3-12,17H,13-16,18H2,1-2H3,(H,27,33)(H2,29,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	572	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay				Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50187716 (CHEMBL3735648) Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant mouse ABL (27 to 1123 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate i...				Eur J Med Chem 118: 244-9 (2016) Article DOI: 10.1016/j.ejmech.2016.04.046 BindingDB Entry DOI: 10.7270/Q2Q81G02
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451279 (CHEMBL4207305) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-8-10-31(11-9-30)17-6-7-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-5-3-4-16(12-18)27-22(33)15-32/h3-7,12-14,32H,8-11,15H2,1-2H3,(H,27,33)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BaF3-BCL cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method				J Med Chem 54: 6342-63 (2011) Article DOI: 10.1021/jm2007613 BindingDB Entry DOI: 10.7270/Q2Q52Q09
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451307 (CHEMBL4203110) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N=[N+]=[N-])n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN8O2/c1-30-9-11-31(12-10-30)15-7-8-17(20(13-15)32-2)26-22-25-14-16(23)21(27-22)33-19-6-4-3-5-18(19)28-29-24/h3-8,13-14H,9-12H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451309 (CHEMBL4215496) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)COCc2ccccc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C15H17N3O/c1-17(2)10-11-19-16-15-12-6-3-4-7-13(12)18-9-5-8-14(15)18/h3-9H,10-11H2,1-2H3/b16-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451294 (CHEMBL4215164) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-9-11-32(12-10-31)18-6-7-21(22(15-18)35-2)29-25-27-16-20(26)24(30-25)36-19-5-3-4-17(14-19)28-23(34)8-13-33/h3-7,14-16,33H,8-13H2,1-2H3,(H,28,34)(H,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451299 (CHEMBL4209119) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCOCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-15-17-39(18-16-38)25-10-13-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-11-8-24(9-12-26)35-30(40)14-19-42-22-23-6-4-3-5-7-23/h3-13,20-21H,14-19,22H2,1-2H3,(H,35,40)(H,34,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451307 (CHEMBL4203110) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N=[N+]=[N-])n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN8O2/c1-30-9-11-31(12-10-30)15-7-8-17(20(13-15)32-2)26-22-25-14-16(23)21(27-22)33-19-6-4-3-5-18(19)28-29-24/h3-8,13-14H,9-12H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451279 (CHEMBL4207305) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-8-10-31(11-9-30)17-6-7-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-5-3-4-16(12-18)27-22(33)15-32/h3-7,12-14,32H,8-11,15H2,1-2H3,(H,27,33)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451299 (CHEMBL4209119) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCOCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-15-17-39(18-16-38)25-10-13-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-11-8-24(9-12-26)35-30(40)14-19-42-22-23-6-4-3-5-7-23/h3-13,20-21H,14-19,22H2,1-2H3,(H,35,40)(H,34,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451300 (CHEMBL4210744) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H25ClN6O2/c1-28-8-10-29(11-9-28)16-6-7-19(20(13-16)30-2)26-22-25-14-18(23)21(27-22)31-17-5-3-4-15(24)12-17/h3-7,12-14H,8-11,24H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451300 (CHEMBL4210744) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H25ClN6O2/c1-28-8-10-29(11-9-28)16-6-7-19(20(13-16)30-2)26-22-25-14-18(23)21(27-22)31-17-5-3-4-15(24)12-17/h3-7,12-14H,8-11,24H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451288 (CHEMBL4212450) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-9-11-31(12-10-30)16-7-8-19(21(13-16)34-2)28-24-26-14-17(25)23(29-24)35-20-6-4-3-5-18(20)27-22(33)15-32/h3-8,13-14,32H,9-12,15H2,1-2H3,(H,27,33)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451294 (CHEMBL4215164) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-9-11-32(12-10-31)18-6-7-21(22(15-18)35-2)29-25-27-16-20(26)24(30-25)36-19-5-3-4-17(14-19)28-23(34)8-13-33/h3-7,14-16,33H,8-13H2,1-2H3,(H,28,34)(H,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451296 (CHEMBL4203804) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(C)=O)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O3/c1-16(32)27-17-4-7-19(8-5-17)34-23-20(25)15-26-24(29-23)28-21-9-6-18(14-22(21)33-3)31-12-10-30(2)11-13-31/h4-9,14-15H,10-13H2,1-3H3,(H,27,32)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451298 (CHEMBL4211573) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)COCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H33ClN6O4/c1-37-14-16-38(17-15-37)24-10-13-27(28(18-24)40-2)35-31-33-19-26(32)30(36-31)42-25-11-8-23(9-12-25)34-29(39)21-41-20-22-6-4-3-5-7-22/h3-13,18-19H,14-17,20-21H2,1-2H3,(H,34,39)(H,33,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451291 (CHEMBL4208712) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-10-12-32(13-11-31)17-7-8-20(22(15-17)35-2)29-25-27-16-18(26)24(30-25)36-21-6-4-3-5-19(21)28-23(34)9-14-33/h3-8,15-16,33H,9-14H2,1-2H3,(H,28,34)(H,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50490918 (CHEMBL2347710) Show SMILES CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccccc1OC Show InChI InChI=1S/C17H17N3O2S/c1-3-18-16(21)20-17-19-13-9-8-11(10-15(13)23-17)12-6-4-5-7-14(12)22-2/h4-10H,3H2,1-2H3,(H2,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451305 (CHEMBL4210237) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)C=C)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-19-7-5-6-8-21(19)35-24-18(26)16-27-25(30-24)29-20-10-9-17(15-22(20)34-3)32-13-11-31(2)12-14-32/h4-10,15-16H,1,11-14H2,2-3H3,(H,28,33)(H,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451292 (CHEMBL4202413) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)COCc3ccccc3)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H33ClN6O4/c1-37-13-15-38(16-14-37)24-11-12-27(28(18-24)40-2)35-31-33-19-26(32)30(36-31)42-25-10-6-9-23(17-25)34-29(39)21-41-20-22-7-4-3-5-8-22/h3-12,17-19H,13-16,20-21H2,1-2H3,(H,34,39)(H,33,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451293 (CHEMBL4204937) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCOCc3ccccc3)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-14-16-39(17-15-38)25-11-12-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-10-6-9-24(19-26)35-30(40)13-18-42-22-23-7-4-3-5-8-23/h3-12,19-21H,13-18,22H2,1-2H3,(H,35,40)(H,34,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451293 (CHEMBL4204937) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCOCc3ccccc3)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-14-16-39(17-15-38)25-11-12-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-10-6-9-24(19-26)35-30(40)13-18-42-22-23-7-4-3-5-8-23/h3-12,19-21H,13-18,22H2,1-2H3,(H,35,40)(H,34,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50468201 (CHEMBL4292491) Show SMILES Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C25H26N6O2S/c1-16-5-4-6-20(28-16)24-23(21-14-25(2,3)15-31(21)30-24)17-11-12-27-22(13-17)29-18-7-9-19(10-8-18)34(26,32)33/h4-13H,14-15H2,1-3H3,(H,27,29)(H2,26,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP				Eur J Med Chem 127: 632-642 (2017) Article DOI: 10.1016/j.ejmech.2017.01.018 BindingDB Entry DOI: 10.7270/Q29Z97MF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451285 (CHEMBL4214040) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CO)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-9-11-31(12-10-30)17-5-8-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-6-3-16(4-7-18)27-22(33)15-32/h3-8,13-14,32H,9-12,15H2,1-2H3,(H,27,33)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451295 (CHEMBL4205469) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(N)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H25ClN6O2/c1-28-9-11-29(12-10-28)16-5-8-19(20(13-16)30-2)26-22-25-14-18(23)21(27-22)31-17-6-3-15(24)4-7-17/h3-8,13-14H,9-12,24H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451292 (CHEMBL4202413) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)COCc3ccccc3)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H33ClN6O4/c1-37-13-15-38(16-14-37)24-11-12-27(28(18-24)40-2)35-31-33-19-26(32)30(36-31)42-25-10-6-9-23(17-25)34-29(39)21-41-20-22-7-4-3-5-8-22/h3-12,17-19H,13-16,20-21H2,1-2H3,(H,34,39)(H,33,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451296 (CHEMBL4203804) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(C)=O)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O3/c1-16(32)27-17-4-7-19(8-5-17)34-23-20(25)15-26-24(29-23)28-21-9-6-18(14-22(21)33-3)31-12-10-30(2)11-13-31/h4-9,14-15H,10-13H2,1-3H3,(H,27,32)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50084036 (CHEMBL3425671) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(C)=O)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O3/c1-16(32)27-17-5-4-6-19(13-17)34-23-20(25)15-26-24(29-23)28-21-8-7-18(14-22(21)33-3)31-11-9-30(2)10-12-31/h4-8,13-15H,9-12H2,1-3H3,(H,27,32)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451305 (CHEMBL4210237) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)C=C)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-19-7-5-6-8-21(19)35-24-18(26)16-27-25(30-24)29-20-10-9-17(15-22(20)34-3)32-13-11-31(2)12-14-32/h4-10,15-16H,1,11-14H2,2-3H3,(H,28,33)(H,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451310 (CHEMBL4218320) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCOCc2ccccc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C20H19N3O/c1-2-7-16(8-3-1)15-21-12-14-24-22-20-17-9-4-5-10-18(17)23-13-6-11-19(20)23/h1-11,13,21H,12,14-15H2/b22-20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451310 (CHEMBL4218320) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCOCc2ccccc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C20H19N3O/c1-2-7-16(8-3-1)15-21-12-14-24-22-20-17-9-4-5-10-18(17)23-13-6-11-19(20)23/h1-11,13,21H,12,14-15H2/b22-20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451282 (CHEMBL4217686) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCO)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-10-12-32(13-11-31)18-5-8-21(22(15-18)35-2)29-25-27-16-20(26)24(30-25)36-19-6-3-17(4-7-19)28-23(34)9-14-33/h3-8,15-16,33H,9-14H2,1-2H3,(H,28,34)(H,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451282 (CHEMBL4217686) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCO)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-10-12-32(13-11-31)18-5-8-21(22(15-18)35-2)29-25-27-16-20(26)24(30-25)36-19-6-3-17(4-7-19)28-23(34)9-14-33/h3-8,15-16,33H,9-14H2,1-2H3,(H,28,34)(H,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451297 (CHEMBL4216551) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)\C=C\CN(C)C)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C28H34ClN7O3/c1-34(2)13-5-6-26(37)31-20-7-10-22(11-8-20)39-27-23(29)19-30-28(33-27)32-24-12-9-21(18-25(24)38-4)36-16-14-35(3)15-17-36/h5-12,18-19H,13-17H2,1-4H3,(H,31,37)(H,30,32,33)/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451280 (CHEMBL4208167) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(cc2)[N+]([O-])=O)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN6O4/c1-27-9-11-28(12-10-27)16-5-8-19(20(13-16)32-2)25-22-24-14-18(23)21(26-22)33-17-6-3-15(4-7-17)29(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451309 (CHEMBL4215496) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)COCc2ccccc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C15H17N3O/c1-17(2)10-11-19-16-15-12-6-3-4-7-13(12)18-9-5-8-14(15)18/h3-9H,10-11H2,1-2H3/b16-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50490918 (CHEMBL2347710) Show SMILES CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccccc1OC Show InChI InChI=1S/C17H17N3O2S/c1-3-18-16(21)20-17-19-13-9-8-11(10-15(13)23-17)12-6-4-5-7-14(12)22-2/h4-10H,3H2,1-2H3,(H2,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451298 (CHEMBL4211573) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)COCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H33ClN6O4/c1-37-14-16-38(17-15-37)24-10-13-27(28(18-24)40-2)35-31-33-19-26(32)30(36-31)42-25-11-8-23(9-12-25)34-29(39)21-41-20-22-6-4-3-5-7-22/h3-13,18-19H,14-17,20-21H2,1-2H3,(H,34,39)(H,33,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair

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