Compile Data Set for Download or QSAR

Found 192 hits Enz. Inhib. hit(s) with all data for entry = 5560   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) Show SMILES [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>3.73	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87434 (MLS000719132 | N-(3-ethylphenyl)-6-(2-keto-5-methy...) Show SMILES CCc1cccc(NC(=O)CCCCCC2NC(=O)NC2C)c1 Show InChI InChI=1S/C18H27N3O2/c1-3-14-8-7-9-15(12-14)20-17(22)11-6-4-5-10-16-13(2)19-18(23)21-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3,(H,20,22)(H2,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.97	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM66184 (6-[(4R,5S)-2-keto-5-methyl-imidazolidin-4-yl]hexan...) Show SMILES C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O Show InChI InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	10.1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87447 (MLS000719269 | N-(3-fluoranyl-2-methyl-phenyl)-6-(...) Show SMILES CC1NC(=O)NC1CCCCCC(=O)Nc1cccc(F)c1C Show InChI InChI=1S/C17H24FN3O2/c1-11-13(18)7-6-9-14(11)20-16(22)10-5-3-4-8-15-12(2)19-17(23)21-15/h6-7,9,12,15H,3-5,8,10H2,1-2H3,(H,20,22)(H2,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	14.3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM42775 (6-(2-keto-5-methyl-imidazolidin-4-yl)-N-(p-tolyl)h...) Show SMILES CC1NC(=O)NC1CCCCCC(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C17H25N3O2/c1-12-8-10-14(11-9-12)19-16(21)7-5-3-4-6-15-13(2)18-17(22)20-15/h8-11,13,15H,3-7H2,1-2H3,(H,19,21)(H2,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87446 (MLS000719154 | N-(3-chloranyl-4-fluoranyl-phenyl)-...) Show SMILES CC1NC(=O)NC1CCCCCC(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C16H21ClFN3O2/c1-10-14(21-16(23)19-10)5-3-2-4-6-15(22)20-11-7-8-13(18)12(17)9-11/h7-10,14H,2-6H2,1H3,(H,20,22)(H2,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	15.0	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87426 (6-(5-Methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-...) Show SMILES Cc1[nH]c(=O)[nH]c1C(=O)CCCCC(O)=O Show InChI InChI=1S/C10H12N2O4/c1-6-9(12-10(16)11-6)7(13)4-2-3-5-8(14)15/h2-5H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	17.4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87432 (MLS000719133 | N-(4-fluorophenyl)-6-(2-keto-5-meth...) Show SMILES CC1NC(=O)NC1CCCCCC(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C16H22FN3O2/c1-11-14(20-16(22)18-11)5-3-2-4-6-15(21)19-13-9-7-12(17)8-10-13/h7-11,14H,2-6H2,1H3,(H,19,21)(H2,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM66219 (4-benzoxy-2-pyridone | 4-phenylmethoxy-1H-pyridin-...) Show SMILES O=c1cc(OCc2ccccc2)cc[nH]1 Show InChI InChI=1S/C12H11NO2/c14-12-8-11(6-7-13-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	26.1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87399 (6-[5-[(1H-benzimidazol-2-ylthio)methyl]-2-keto-4-i...) Show SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc2ccccc2[nH]1 Show InChI InChI=1S/C19H22N4O4S/c1-2-27-16(25)10-6-5-9-15(24)17-14(20-18(26)23-17)11-28-19-21-12-7-3-4-8-13(12)22-19/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,21,22)(H2,20,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	96.7	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM66175 (MLS000719140 | N-(2,6-dimethylphenyl)-6-(2-keto-5-...) Show SMILES CC1NC(=O)NC1CCCCCC(=O)Nc1c(C)cccc1C Show InChI InChI=1S/C18H27N3O2/c1-12-8-7-9-13(2)17(12)21-16(22)11-6-4-5-10-15-14(3)19-18(23)20-15/h7-9,14-15H,4-6,10-11H2,1-3H3,(H,21,22)(H2,19,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87408 (6-[5-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]meth...) Show SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(=O)[nH]1 Show InChI InChI=1S/C17H22N4O5S/c1-3-26-14(24)7-5-4-6-12(22)15-11(19-16(25)21-15)9-27-17-18-10(2)8-13(23)20-17/h8H,3-7,9H2,1-2H3,(H,18,20,23)(H2,19,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM34671 (1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...) Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM38446 (8,8-dimethyl-7,10-dihydro-8H-thiopyrano[3''...) Show SMILES CC1(C)Cc2nc3sc4c([nH]cnc4=O)c3cc2CS1 Show InChI InChI=1S/C14H13N3OS2/c1-14(2)4-9-7(5-19-14)3-8-10-11(20-13(8)17-9)12(18)16-6-15-10/h3,6H,4-5H2,1-2H3,(H,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>302	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM32102 (1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...) Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87503 (1-benzoyl-N-[4-[2-[4-[[cyclopropyl(methyl)amino]-o...) Show SMILES CN(C1CC1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)c3ccccc3)cc2)cc1 Show InChI InChI=1S/C32H34N4O4/c1-35(28-15-16-28)31(39)25-9-13-26(14-10-25)33-29(37)21-22-7-11-27(12-8-22)34-30(38)23-17-19-36(20-18-23)32(40)24-5-3-2-4-6-24/h2-14,23,28H,15-21H2,1H3,(H,33,37)(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	407	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87508 (4-(benzylthio)-1H-pyrimidin-6-one | 4-(phenylmethy...) Show SMILES O=c1cc(SCc2ccccc2)nc[nH]1 Show InChI InChI=1S/C11H10N2OS/c14-10-6-11(13-8-12-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	514	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM34905 (1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...) Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	527	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) Show SMILES [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	529	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87404 (6-[5-(4-morpholinylmethyl)-2-oxo-1,3-dihydroimidaz...) Show SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CN1CCOCC1 Show InChI InChI=1S/C16H23N3O5/c1-2-24-14(21)6-4-3-5-13(20)15-12(17-16(22)18-15)11-19-7-9-23-10-8-19/h2-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	548	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87486 (5-(1-azepanylsulfonyl)-N-[4-[diethylamino(oxo)meth...) Show SMILES CCN(CC)C(=O)c1ccc(NC(=O)c2cc(ccc2OC)S(=O)(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C25H33N3O5S/c1-4-27(5-2)25(30)19-10-12-20(13-11-19)26-24(29)22-18-21(14-15-23(22)33-3)34(31,32)28-16-8-6-7-9-17-28/h10-15,18H,4-9,16-17H2,1-3H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	618	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87391 (2-[(4-acetoxy-3-methoxy-benzoyl)amino]-5-hydroxy-b...) Show SMILES COc1cc(ccc1OC(C)=O)C(=O)Nc1ccc(O)cc1C(O)=O Show InChI InChI=1S/C17H15NO7/c1-9(19)25-14-6-3-10(7-15(14)24-2)16(21)18-13-5-4-11(20)8-12(13)17(22)23/h3-8,20H,1-2H3,(H,18,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	659	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87421 (6-[5-[(2-hydroxyethylthio)methyl]-2-keto-4-imidazo...) Show SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSCCO Show InChI InChI=1S/C14H20N2O5S/c1-2-21-12(19)6-4-3-5-11(18)13-10(9-22-8-7-17)15-14(20)16-13/h17H,2-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	695	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM34751 (2,6,7-trihydroxy-9-(2,4,5-trimethoxyphenyl)-3-xant...) Show SMILES COc1cc(OC)c(cc1OC)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 |(10.68,5.5,;9.35,4.73,;9.35,3.19,;10.68,2.42,;10.68,.88,;12.01,.11,;13.35,.88,;9.35,.11,;8.01,.88,;8.01,2.42,;6.68,3.19,;6.68,4.73,;9.35,-1.43,;10.68,-2.2,;12.06,-1.38,;13.45,-2.17,;14.78,-1.39,;13.45,-3.77,;14.78,-4.55,;12.06,-4.56,;10.68,-3.74,;9.35,-4.51,;8.01,-3.74,;6.63,-4.56,;5.24,-3.77,;3.91,-4.55,;5.24,-2.17,;3.91,-1.39,;6.63,-1.38,;8.01,-2.2,)| Show InChI InChI=1S/C22H18O8/c1-27-17-9-21(29-3)20(28-2)6-12(17)22-10-4-13(23)15(25)7-18(10)30-19-8-16(26)14(24)5-11(19)22/h4-9,23-25H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	724	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50056938 (2,6,7-Trihydroxy-9-methyl-xanthen-3-one | CHEMBL17...) Show SMILES Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 Show InChI InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	835	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87417 (1-Butyl-tetrahydro-imidazo[4,5-d]imidazole-2,5-dio...) Show SMILES CCCCN1C2NC(=O)NC2NC1=O Show InChI InChI=1S/C8H14N4O2/c1-2-3-4-12-6-5(10-8(12)14)9-7(13)11-6/h5-6H,2-4H2,1H3,(H,10,14)(H2,9,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	905	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87493 (5-bromanyl-3-methyl-N-(2-morpholin-4-ylethyl)-1-be...) Show SMILES Cc1c(oc2ccc(Br)cc12)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C16H19BrN2O3/c1-11-13-10-12(17)2-3-14(13)22-15(11)16(20)18-4-5-19-6-8-21-9-7-19/h2-3,10H,4-9H2,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87519 (1-(cyclopentanecarbonyl)-N-[4-[2-[4-[methyl(2-phen...) Show SMILES CN(CCc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)C3CCCC3)cc2)cc1 Show InChI InChI=1S/C36H42N4O4/c1-39(22-19-26-7-3-2-4-8-26)35(43)30-13-17-31(18-14-30)37-33(41)25-27-11-15-32(16-12-27)38-34(42)28-20-23-40(24-21-28)36(44)29-9-5-6-10-29/h2-4,7-8,11-18,28-29H,5-6,9-10,19-25H2,1H3,(H,37,41)(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87410 (MLS000119993 | N-(6-methoxy-1,3-benzothiazol-2-yl)...) Show SMILES COc1ccc2nc(NC(=O)CCc3nc(no3)C3=CCN(C)CC3)sc2c1 |t:19| Show InChI InChI=1S/C19H21N5O3S/c1-24-9-7-12(8-10-24)18-22-17(27-23-18)6-5-16(25)21-19-20-14-4-3-13(26-2)11-15(14)28-19/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,20,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM44685 (6-[5-[[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)...) Show SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C23H23N5O5S/c1-2-33-18(30)11-7-6-10-17(29)20-16(25-22(32)26-20)13-34-23-27-19(14-8-4-3-5-9-14)15(12-24)21(31)28-23/h3-5,8-9H,2,6-7,10-11,13H2,1H3,(H2,25,26,32)(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87522 (1-(cyclopentanecarbonyl)-N-[4-[2-[4-(morpholine-4-...) Show SMILES O=C(Cc1ccc(NC(=O)C2CCN(CC2)C(=O)C2CCCC2)cc1)Nc1ccc(cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C31H38N4O5/c36-28(32-26-11-7-25(8-12-26)31(39)35-17-19-40-20-18-35)21-22-5-9-27(10-6-22)33-29(37)23-13-15-34(16-14-23)30(38)24-3-1-2-4-24/h5-12,23-24H,1-4,13-21H2,(H,32,36)(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87385 (10-(3-pyridinylmethyl)-2,3,4,5,6,7,8,8a,9,9a-decah...) Show SMILES N#CC12CCCCC1CC1CCCCC1(C#N)N2Cc1cccnc1 Show InChI InChI=1S/C21H26N4/c22-15-20-9-3-1-7-18(20)12-19-8-2-4-10-21(19,16-23)25(20)14-17-6-5-11-24-13-17/h5-6,11,13,18-19H,1-4,7-10,12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87409 (6-[5-(1-benzimidazolylmethyl)-2-oxo-1,3-dihydroimi...) Show SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1Cn1cnc2ccccc12 Show InChI InChI=1S/C19H20N4O4/c1-2-27-17(25)10-6-5-9-16(24)18-14(21-19(26)22-18)11-23-12-20-13-7-3-4-8-15(13)23/h3-4,7-8,12H,2,5-6,9-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87490 (MLS001080012 | N-[2-(5-chloro-2-methoxy-anilino)-2...) Show SMILES COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(nc2ccccc12)-c1ccncc1 Show InChI InChI=1S/C25H21ClN4O3/c1-30(15-24(31)29-22-13-17(26)7-8-23(22)33-2)25(32)19-14-21(16-9-11-27-12-10-16)28-20-6-4-3-5-18(19)20/h3-14H,15H2,1-2H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87431 (MLS000708697 | N-(4-acetamidophenyl)-1-(2-thenoyl)...) Show SMILES CC(=O)Nc1ccc(NC(=O)C2CCN(CC2)C(=O)c2cccs2)cc1 Show InChI InChI=1S/C19H21N3O3S/c1-13(23)20-15-4-6-16(7-5-15)21-18(24)14-8-10-22(11-9-14)19(25)17-3-2-12-26-17/h2-7,12,14H,8-11H2,1H3,(H,20,23)(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87492 (MLS001080022 | N-[2-(4-methoxyanilino)-2-oxoethyl]...) Show SMILES COc1ccc(NC(=O)CN(C)C(=O)Cc2ccc(s2)S(=O)(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C20H25N3O6S2/c1-22(14-18(24)21-15-3-5-16(28-2)6-4-15)19(25)13-17-7-8-20(30-17)31(26,27)23-9-11-29-12-10-23/h3-8H,9-14H2,1-2H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87427 (6-[5-(9-Allyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulf...) Show SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c3ccccc3n(CC=C)c2n1 Show InChI InChI=1S/C24H24N6O4S/c1-3-13-30-17-10-6-5-9-15(17)20-22(30)27-24(29-28-20)35-14-16-21(26-23(33)25-16)18(31)11-7-8-12-19(32)34-4-2/h3,5-6,9-10H,1,4,7-8,11-14H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87488 (MLS001080032 | N-[2-(4-acetamidoanilino)-2-keto-et...) Show SMILES CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccccc1SCc1c(C)noc1C Show InChI InChI=1S/C25H28N4O4S/c1-5-29(14-24(31)27-20-12-10-19(11-13-20)26-18(4)30)25(32)21-8-6-7-9-23(21)34-15-22-16(2)28-33-17(22)3/h6-13H,5,14-15H2,1-4H3,(H,26,30)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50027326 ((1R)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroiso...) Show SMILES Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87414 (6-[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-2-...) Show SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(C)n1 Show InChI InChI=1S/C18H22N4O4S/c1-4-26-15(24)8-6-5-7-14(23)16-13(21-17(25)22-16)10-27-18-19-11(2)9-12(3)20-18/h9H,4-8,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87489 (2-(2-cyanophenyl)sulfanyl-N-[2-(furan-2-yl)-2-pyrr...) Show SMILES O=C(NCC(N1CCCC1)c1ccco1)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C24H23N3O2S/c25-16-18-8-1-3-11-22(18)30-23-12-4-2-9-19(23)24(28)26-17-20(21-10-7-15-29-21)27-13-5-6-14-27/h1-4,7-12,15,20H,5-6,13-14,17H2,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87415 (7-(2,4-dichlorobenzyl)-8-imidazol-1-yl-1,3-dimethy...) Show SMILES Cn1c2nc(-n3ccnc3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H14Cl2N6O2/c1-22-14-13(15(26)23(2)17(22)27)25(16(21-14)24-6-5-20-9-24)8-10-3-4-11(18)7-12(10)19/h3-7,9H,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87463 ((4E)-3-hydroxy-4-[[2-(2-methyl-6-morpholin-4-ylpyr...) Show SMILES Cc1nc(cc(n1)N1CCOCC1)N=NCc1ccc(O)cc1O |w:13.14| Show InChI InChI=1S/C16H19N5O3/c1-11-18-15(9-16(19-11)21-4-6-24-7-5-21)20-17-10-12-2-3-13(22)8-14(12)23/h2-3,8-9,22-23H,4-7,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87466 (MLS001173235 | SMR000539116 | cid_3628478) Show SMILES COc1ccc(cc1)C1c2c(Oc3nc[nH]c(=O)c13)nc[nH]c2=O Show InChI InChI=1S/C16H12N4O4/c1-23-9-4-2-8(3-5-9)10-11-13(21)17-6-19-15(11)24-16-12(10)14(22)18-7-20-16/h2-7,10H,1H3,(H,17,19,21)(H,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87419 (1-butyl-3-methyltetrahydroimidazo[4,5-d]imidazole-...) Show SMILES CCCCN1C2NC(=O)NC2N(C)C1=O Show InChI InChI=1S/C9H16N4O2/c1-3-4-5-13-7-6(10-8(14)11-7)12(2)9(13)15/h6-7H,3-5H2,1-2H3,(H2,10,11,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM63161 (6-keto-6-[2-keto-5-[[(5-propyl-[1,2,4]triazin[5,6-...) Show SMILES CCCn1c2ccccc2c2nnc(SCc3[nH]c(=O)[nH]c3C(=O)CCCCC(=O)OCC)nc12 Show InChI InChI=1S/C24H26N6O4S/c1-3-13-30-17-10-6-5-9-15(17)20-22(30)27-24(29-28-20)35-14-16-21(26-23(33)25-16)18(31)11-7-8-12-19(32)34-4-2/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM42546 (6-[5-[[(5-isopropyl-[1,2,4]triazin[5,6-b]indol-3-y...) Show SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c3ccccc3n(C(C)C)c2n1 Show InChI InChI=1S/C24H28N6O4S/c1-4-34-19(32)12-8-7-11-18(31)21-16(25-23(33)26-21)13-35-24-27-22-20(28-29-24)15-9-5-6-10-17(15)30(22)14(2)3/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3,(H2,25,26,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87398 (MLS000094341 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3...) Show SMILES CCc1nnc(NC(=O)CCc2nc(no2)C2=CCN(C)CC2)s1 |t:17| Show InChI InChI=1S/C15H20N6O2S/c1-3-13-18-19-15(24-13)16-11(22)4-5-12-17-14(20-23-12)10-6-8-21(2)9-7-10/h6H,3-5,7-9H2,1-2H3,(H,16,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87484 (MLS001082123 | N-[2-(dimethylamino)-2-(2-furanyl)e...) Show SMILES COc1ccc2oc(C(=O)NCC(N(C)C)c3ccco3)c(C)c2c1 Show InChI InChI=1S/C19H22N2O4/c1-12-14-10-13(23-4)7-8-16(14)25-18(12)19(22)20-11-15(21(2)3)17-6-5-9-24-17/h5-10,15H,11H2,1-4H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87529 (1-benzoyl-N-[4-[2-[4-[[methyl(2-phenylethyl)amino]...) Show SMILES CN(CCc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)c3ccccc3)cc2)cc1 Show InChI InChI=1S/C37H38N4O4/c1-40(23-20-27-8-4-2-5-9-27)36(44)31-14-18-32(19-15-31)38-34(42)26-28-12-16-33(17-13-28)39-35(43)29-21-24-41(25-22-29)37(45)30-10-6-3-7-11-30/h2-19,29H,20-26H2,1H3,(H,38,42)(H,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair

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