Compile Data Set for Download or QSAR

Found 1076 hits with Last Name = 'halcomb' and Initial = 'r'   

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
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50310540 (((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)...) Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair				3D Structure (crystal)
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50310540 (((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)...) Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50366833 (CHEMBL608928) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C20H24N5O9P/c21-15-5-6-25(20(30)23-15)18-17(27)16(26)14(34-18)9-33-35(31,32)24-13(19(28)29)7-10-8-22-12-4-2-1-3-11(10)12/h1-6,8,13-14,16-18,22,26-27H,7,9H2,(H,28,29)(H2,21,23,30)(H2,24,31,32)/t13-,14+,16+,17+,18?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50366837 (CHEMBL608619) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)OCC(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C11H16N3O10P/c12-6-1-2-14(11(19)13-6)10-9(18)8(17)5(24-10)3-22-25(20,21)23-4-7(15)16/h1-2,5,8-10,17-18H,3-4H2,(H,15,16)(H,20,21)(H2,12,13,19)/t5-,8-,9-,10?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50366837 (CHEMBL608619) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)OCC(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C11H16N3O10P/c12-6-1-2-14(11(19)13-6)10-9(18)8(17)5(24-10)3-22-25(20,21)23-4-7(15)16/h1-2,5,8-10,17-18H,3-4H2,(H,15,16)(H,20,21)(H2,12,13,19)/t5-,8-,9-,10?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50366833 (CHEMBL608928) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C20H24N5O9P/c21-15-5-6-25(20(30)23-15)18-17(27)16(26)14(34-18)9-33-35(31,32)24-13(19(28)29)7-10-8-22-12-4-2-1-3-11(10)12/h1-6,8,13-14,16-18,22,26-27H,7,9H2,(H,28,29)(H2,21,23,30)(H2,24,31,32)/t13-,14+,16+,17+,18?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50366832 (CHEMBL609516) Show SMILES CC(C)C[C@H](NP(O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O |r| Show InChI InChI=1S/C15H25N4O9P/c1-7(2)5-8(14(22)23)18-29(25,26)27-6-9-11(20)12(21)13(28-9)19-4-3-10(16)17-15(19)24/h3-4,7-9,11-13,20-21H,5-6H2,1-2H3,(H,22,23)(H2,16,17,24)(H2,18,25,26)/t8-,9+,11+,12+,13?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50366836 (CHEMBL610554) Show SMILES C[C@H](NP(O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O |r| Show InChI InChI=1S/C12H19N4O9P/c1-5(11(19)20)15-26(22,23)24-4-6-8(17)9(18)10(25-6)16-3-2-7(13)14-12(16)21/h2-3,5-6,8-10,17-18H,4H2,1H3,(H,19,20)(H2,13,14,21)(H2,15,22,23)/t5-,6+,8+,9+,10?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50366835 (CHEMBL609514) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C13H19N4O11P/c14-7-1-2-17(13(24)15-7)11-10(21)9(20)6(28-11)4-27-29(25,26)16-5(12(22)23)3-8(18)19/h1-2,5-6,9-11,20-21H,3-4H2,(H,18,19)(H,22,23)(H2,14,15,24)(H2,16,25,26)/t5-,6+,9+,10+,11?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50366836 (CHEMBL610554) Show SMILES C[C@H](NP(O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O |r| Show InChI InChI=1S/C12H19N4O9P/c1-5(11(19)20)15-26(22,23)24-4-6-8(17)9(18)10(25-6)16-3-2-7(13)14-12(16)21/h2-3,5-6,8-10,17-18H,4H2,1H3,(H,19,20)(H2,13,14,21)(H2,15,22,23)/t5-,6+,8+,9+,10?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50366834 (CHEMBL609800) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](Cc3ccccc3)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C18H23N4O9P/c19-13-6-7-22(18(27)20-13)16-15(24)14(23)12(31-16)9-30-32(28,29)21-11(17(25)26)8-10-4-2-1-3-5-10/h1-7,11-12,14-16,23-24H,8-9H2,(H,25,26)(H2,19,20,27)(H2,21,28,29)/t11-,12+,14+,15+,16?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50366838 (CHEMBL609215) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)NCC(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C11H17N4O9P/c12-6-1-2-15(11(20)14-6)10-9(19)8(18)5(24-10)4-23-25(21,22)13-3-7(16)17/h1-2,5,8-10,18-19H,3-4H2,(H,16,17)(H2,12,14,20)(H2,13,21,22)/t5-,8-,9-,10?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50366832 (CHEMBL609516) Show SMILES CC(C)C[C@H](NP(O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O |r| Show InChI InChI=1S/C15H25N4O9P/c1-7(2)5-8(14(22)23)18-29(25,26)27-6-9-11(20)12(21)13(28-9)19-4-3-10(16)17-15(19)24/h3-4,7-9,11-13,20-21H,5-6H2,1-2H3,(H,22,23)(H2,16,17,24)(H2,18,25,26)/t8-,9+,11+,12+,13?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Beta-galactoside alpha-2,6-sialyltransferase 1 (Rattus norvegicus)	BDBM50366834 (CHEMBL609800) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](Cc3ccccc3)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C18H23N4O9P/c19-13-6-7-22(18(27)20-13)16-15(24)14(23)12(31-16)9-30-32(28,29)21-11(17(25)26)8-10-4-2-1-3-5-10/h1-7,11-12,14-16,23-24H,8-9H2,(H,25,26)(H2,19,20,27)(H2,21,28,29)/t11-,12+,14+,15+,16?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50366835 (CHEMBL609514) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C13H19N4O11P/c14-7-1-2-17(13(24)15-7)11-10(21)9(20)6(28-11)4-27-29(25,26)16-5(12(22)23)3-8(18)19/h1-2,5-6,9-11,20-21H,3-4H2,(H,18,19)(H,22,23)(H2,14,15,24)(H2,16,25,26)/t5-,6+,9+,10+,11?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (Rattus norvegicus)	BDBM50366838 (CHEMBL609215) Show SMILES Nc1ccn(C2O[C@H](COP(O)(=O)NCC(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C11H17N4O9P/c12-6-1-2-15(11(20)14-6)10-9(19)8(18)5(24-10)4-23-25(21,22)13-3-7(16)17/h1-2,5,8-10,18-19H,3-4H2,(H,16,17)(H2,12,14,20)(H2,13,21,22)/t5-,8-,9-,10?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver				Bioorg Med Chem Lett 13: 301-4 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2HBM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477669 (N-(4-(chlorodifluoromethoxy)phenyl)-7-(1H-imidazol...) Show SMILES CC(C)n1cnc2cc(cc(Br)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C18H15BrClF2N3O2/c1-10(2)25-9-23-15-8-11(7-14(19)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(20,21)22/h3-10H,1-2H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.160	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 [64-515] (Homo sapiens (Human))	BDBM477669 (N-(4-(chlorodifluoromethoxy)phenyl)-7-(1H-imidazol...) Show SMILES CC(C)n1cnc2cc(cc(Br)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C18H15BrClF2N3O2/c1-10(2)25-9-23-15-8-11(7-14(19)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(20,21)22/h3-10H,1-2H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477770 (US10889571, Example 114 | US20240101536, Example 1...) Show SMILES CC(C)n1c(nc2cc(cc(-c3cncnc3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)C1CCOCC1 Show InChI InChI=1S/C27H26ClF2N5O3/c1-16(2)35-24-22(19-13-31-15-32-14-19)11-18(12-23(24)34-25(35)17-7-9-37-10-8-17)26(36)33-20-3-5-21(6-4-20)38-27(28,29)30/h3-6,11-17H,7-10H2,1-2H3,(H,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.25	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 [64-515] (Homo sapiens (Human))	BDBM477781 (US10889571, Example 126 | US20240101536, Example 1...) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4cncnc4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c1-13-10-33-11-20-30-19-7-14(6-18(21(19)31(13)20)15-8-27-12-28-9-15)22(32)29-16-2-4-17(5-3-16)34-23(24,25)26/h2-9,12-13H,10-11H2,1H3,(H,29,32)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.25	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 [64-515] (Homo sapiens (Human))	BDBM477770 (US10889571, Example 114 | US20240101536, Example 1...) Show SMILES CC(C)n1c(nc2cc(cc(-c3cncnc3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)C1CCOCC1 Show InChI InChI=1S/C27H26ClF2N5O3/c1-16(2)35-24-22(19-13-31-15-32-14-19)11-18(12-23(24)34-25(35)17-7-9-37-10-8-17)26(36)33-20-3-5-21(6-4-20)38-27(28,29)30/h3-6,11-17H,7-10H2,1-2H3,(H,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477781 (US10889571, Example 126 | US20240101536, Example 1...) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4cncnc4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c1-13-10-33-11-20-30-19-7-14(6-18(21(19)31(13)20)15-8-27-12-28-9-15)22(32)29-16-2-4-17(5-3-16)34-23(24,25)26/h2-9,12-13H,10-11H2,1H3,(H,29,32)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477875 (US10889571, Example 223 | US20240101536, Example 2...) Show SMILES COc1nc2cc(cc(-c3ccn[nH]3)c2n1[C@H](C)CO)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.260	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 [64-515] (Homo sapiens (Human))	BDBM477710 (US10889571, Example 51 | US20240101536, Example 51) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cc(-c3cncnc3)c3n(cnc3c2)C2CC2)cc1 Show InChI InChI=1S/C22H16ClF2N5O2/c23-22(24,25)32-17-5-1-15(2-6-17)29-21(31)13-7-18(14-9-26-11-27-10-14)20-19(8-13)28-12-30(20)16-3-4-16/h1-2,5-12,16H,3-4H2,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.260	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 [64-515] (Homo sapiens (Human))	BDBM477875 (US10889571, Example 223 | US20240101536, Example 2...) Show SMILES COc1nc2cc(cc(-c3ccn[nH]3)c2n1[C@H](C)CO)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477710 (US10889571, Example 51 | US20240101536, Example 51) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cc(-c3cncnc3)c3n(cnc3c2)C2CC2)cc1 Show InChI InChI=1S/C22H16ClF2N5O2/c23-22(24,25)32-17-5-1-15(2-6-17)29-21(31)13-7-18(14-9-26-11-27-10-14)20-19(8-13)28-12-30(20)16-3-4-16/h1-2,5-12,16H,3-4H2,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477709 (US10889571, Example 50 | US20240101536, Example 50) Show SMILES CC(C)n1cnc2cc(cc(-c3cncnc3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C22H18ClF2N5O2/c1-13(2)30-12-28-19-8-14(7-18(20(19)30)15-9-26-11-27-10-15)21(31)29-16-3-5-17(6-4-16)32-22(23,24)25/h3-13H,1-2H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.270	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 [64-515] (Homo sapiens (Human))	BDBM477663 (N-(4-(chlorodifluoromethoxy)phenyl)-1,2-dimethyl-4...) Show SMILES Cc1nc2c(cc(cc2n1C)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)-c1cncnc1 Show InChI InChI=1S/C21H16ClF2N5O2/c1-12-27-19-17(14-9-25-11-26-10-14)7-13(8-18(19)29(12)2)20(30)28-15-3-5-16(6-4-15)31-21(22,23)24/h3-11H,1-2H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.270	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 [64-515] (Homo sapiens (Human))	BDBM477663 (N-(4-(chlorodifluoromethoxy)phenyl)-1,2-dimethyl-4...) Show SMILES Cc1nc2c(cc(cc2n1C)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)-c1cncnc1 Show InChI InChI=1S/C21H16ClF2N5O2/c1-12-27-19-17(14-9-25-11-26-10-14)7-13(8-18(19)29(12)2)20(30)28-15-3-5-16(6-4-15)31-21(22,23)24/h3-11H,1-2H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477709 (US10889571, Example 50 | US20240101536, Example 50) Show SMILES CC(C)n1cnc2cc(cc(-c3cncnc3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C22H18ClF2N5O2/c1-13(2)30-12-28-19-8-14(7-18(20(19)30)15-9-26-11-27-10-15)21(31)29-16-3-5-17(6-4-16)32-22(23,24)25/h3-13H,1-2H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477873 (US10889571, Example 221 | US20240101536, Example 2...) Show SMILES COc1nc2cc(cc(-c3cncnc3)c2n1[C@H](C)CO)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H20ClF2N5O4/c1-13(11-32)31-20-18(15-9-27-12-28-10-15)7-14(8-19(20)30-22(31)34-2)21(33)29-16-3-5-17(6-4-16)35-23(24,25)26/h3-10,12-13,32H,11H2,1-2H3,(H,29,33)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.280	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 [64-515] (Homo sapiens (Human))	BDBM477813 (US10889571, Example 159 | US20240101536, Example 1...) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4cncs4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H17ClF2N4O3S/c1-12-9-31-10-19-28-17-7-13(6-16(20(17)29(12)19)18-8-26-11-33-18)21(30)27-14-2-4-15(5-3-14)32-22(23,24)25/h2-8,11-12H,9-10H2,1H3,(H,27,30)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.280	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 [64-515] (Homo sapiens (Human))	BDBM477807 (US10889571, Example 153 | US20240101536, Example 1...) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4cncc(c4)C#N)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C25H18ClF2N5O3/c1-14-12-35-13-22-32-21-8-16(24(34)31-18-2-4-19(5-3-18)36-25(26,27)28)7-20(23(21)33(14)22)17-6-15(9-29)10-30-11-17/h2-8,10-11,14H,12-13H2,1H3,(H,31,34)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.280	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 [64-515] (Homo sapiens (Human))	BDBM477873 (US10889571, Example 221 | US20240101536, Example 2...) Show SMILES COc1nc2cc(cc(-c3cncnc3)c2n1[C@H](C)CO)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H20ClF2N5O4/c1-13(11-32)31-20-18(15-9-27-12-28-10-15)7-14(8-19(20)30-22(31)34-2)21(33)29-16-3-5-17(6-4-16)35-23(24,25)26/h3-10,12-13,32H,11H2,1-2H3,(H,29,33)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477807 (US10889571, Example 153 | US20240101536, Example 1...) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4cncc(c4)C#N)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C25H18ClF2N5O3/c1-14-12-35-13-22-32-21-8-16(24(34)31-18-2-4-19(5-3-18)36-25(26,27)28)7-20(23(21)33(14)22)17-6-15(9-29)10-30-11-17/h2-8,10-11,14H,12-13H2,1H3,(H,31,34)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477813 (US10889571, Example 159 | US20240101536, Example 1...) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4cncs4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H17ClF2N4O3S/c1-12-9-31-10-19-28-17-7-13(6-16(20(17)29(12)19)18-8-26-11-33-18)21(30)27-14-2-4-15(5-3-14)32-22(23,24)25/h2-8,11-12H,9-10H2,1H3,(H,27,30)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477762 (US10889571, Example 106 | US20240101536, Example 1...) Show SMILES C[C@H](C(F)F)n1cnc2cc(cc(-c3ccn[nH]3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.290	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 [64-515] (Homo sapiens (Human))	BDBM477762 (US10889571, Example 106 | US20240101536, Example 1...) Show SMILES C[C@H](C(F)F)n1cnc2cc(cc(-c3ccn[nH]3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477768 (US10889571, Example 112 | US20240101536, Example 1...) Show SMILES Cc1nc2cc(cc(-c3cncnc3)c2n1C1CC1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C23H18ClF2N5O2/c1-13-29-20-9-14(22(32)30-16-2-6-18(7-3-16)33-23(24,25)26)8-19(15-10-27-12-28-11-15)21(20)31(13)17-4-5-17/h2-3,6-12,17H,4-5H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	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 [64-515] (Homo sapiens (Human))	BDBM477796 (US10889571, Example 142 | US20240101536, Example 1...) Show SMILES C[C@@H]1CCOc2nc3cc(cc(-c4cncnc4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c1-13-6-7-33-22-30-19-9-14(8-18(20(19)31(13)22)15-10-27-12-28-11-15)21(32)29-16-2-4-17(5-3-16)34-23(24,25)26/h2-5,8-13H,6-7H2,1H3,(H,29,32)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	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 [64-515] (Homo sapiens (Human))	BDBM477796 (US10889571, Example 142 | US20240101536, Example 1...) Show SMILES C[C@@H]1CCOc2nc3cc(cc(-c4cncnc4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c1-13-6-7-33-22-30-19-9-14(8-18(20(19)31(13)22)15-10-27-12-28-11-15)21(32)29-16-2-4-17(5-3-16)34-23(24,25)26/h2-5,8-13H,6-7H2,1H3,(H,29,32)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477768 (US10889571, Example 112 | US20240101536, Example 1...) Show SMILES Cc1nc2cc(cc(-c3cncnc3)c2n1C1CC1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C23H18ClF2N5O2/c1-13-29-20-9-14(22(32)30-16-2-6-18(7-3-16)33-23(24,25)26)8-19(15-10-27-12-28-11-15)21(20)31(13)17-4-5-17/h2-3,6-12,17H,4-5H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477837 (US10889571, Example 185 | US20240101536, Example 1...) Show SMILES C[C@@H]1CCOc2nc3cc(cc(-c4cccnn4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c1-13-8-10-33-22-29-19-12-14(11-17(20(19)31(13)22)18-3-2-9-27-30-18)21(32)28-15-4-6-16(7-5-15)34-23(24,25)26/h2-7,9,11-13H,8,10H2,1H3,(H,28,32)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.310	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 [64-515] (Homo sapiens (Human))	BDBM477788 (US10889571, Example 133 | US20240101536, Example 1...) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4ccn[nH]4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.310	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 [64-515] (Homo sapiens (Human))	BDBM477681 (US10889571, Example 22 | US20240101536, Example 22) Show SMILES CC(C)n1cnc2cc(cc(-c3cscn3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C21H17ClF2N4O2S/c1-12(2)28-10-25-17-8-13(7-16(19(17)28)18-9-31-11-26-18)20(29)27-14-3-5-15(6-4-14)30-21(22,23)24/h3-12H,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.310	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 [64-515] (Homo sapiens (Human))	BDBM477736 (US10889571, Example 80 | US20240101536, Example 80) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cc(-c3ccn[nH]3)c3n(cnc3c2)C2CC2)cc1 Show InChI InChI=1S/C21H16ClF2N5O2/c22-21(23,24)31-15-5-1-13(2-6-15)27-20(30)12-9-16(17-7-8-26-28-17)19-18(10-12)25-11-29(19)14-3-4-14/h1-2,5-11,14H,3-4H2,(H,26,28)(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.310	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 [64-515] (Homo sapiens (Human))	BDBM477837 (US10889571, Example 185 | US20240101536, Example 1...) Show SMILES C[C@@H]1CCOc2nc3cc(cc(-c4cccnn4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c1-13-8-10-33-22-29-19-12-14(11-17(20(19)31(13)22)18-3-2-9-27-30-18)21(32)28-15-4-6-16(7-5-15)34-23(24,25)26/h2-7,9,11-13H,8,10H2,1H3,(H,28,32)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477736 (US10889571, Example 80 | US20240101536, Example 80) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cc(-c3ccn[nH]3)c3n(cnc3c2)C2CC2)cc1 Show InChI InChI=1S/C21H16ClF2N5O2/c22-21(23,24)31-15-5-1-13(2-6-15)27-20(30)12-9-16(17-7-8-26-28-17)19-18(10-12)25-11-29(19)14-3-4-14/h1-2,5-11,14H,3-4H2,(H,26,28)(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477788 (US10889571, Example 133 | US20240101536, Example 1...) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4ccn[nH]4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477681 (US10889571, Example 22 | US20240101536, Example 22) Show SMILES CC(C)n1cnc2cc(cc(-c3cscn3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C21H17ClF2N4O2S/c1-12(2)28-10-25-17-8-13(7-16(19(17)28)18-9-31-11-26-18)20(29)27-14-3-5-15(6-4-14)30-21(22,23)24/h3-12H,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair

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