Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50035762   

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 transforming protein Abl (Abelson murine leukemia virus)	BDBM50292496 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H22N6O7S/c24-20-17-21(26-11-25-20)29(12-27-17)22-19(31)18(30)16(36-22)10-35-23(32)13-6-8-15(9-7-13)37(33,34)28-14-4-2-1-3-5-14/h1-9,11-12,16,18-19,22,28,30-31H,10H2,(H2,24,25,26)/t16-,18-,19-,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)				J Med Chem 31: 1762-7 (1988) BindingDB Entry DOI: 10.7270/Q2CV4JB8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM50292486 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)NCc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H24N6O7S/c25-21-18-22(27-12-26-21)30(13-28-18)23-20(32)19(31)17(37-23)11-36-24(33)15-6-8-16(9-7-15)38(34,35)29-10-14-4-2-1-3-5-14/h1-9,12-13,17,19-20,23,29,31-32H,10-11H2,(H2,25,26,27)/t17-,19-,20-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)				J Med Chem 31: 1762-7 (1988) BindingDB Entry DOI: 10.7270/Q2CV4JB8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM50292487 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)NCCc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C25H26N6O7S/c26-22-19-23(28-13-27-22)31(14-29-19)24-21(33)20(32)18(38-24)12-37-25(34)16-6-8-17(9-7-16)39(35,36)30-11-10-15-4-2-1-3-5-15/h1-9,13-14,18,20-21,24,30,32-33H,10-12H2,(H2,26,27,28)/t18-,20-,21-,24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)				J Med Chem 31: 1762-7 (1988) BindingDB Entry DOI: 10.7270/Q2CV4JB8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM50292489 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)NCCCc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C26H28N6O7S/c27-23-20-24(29-14-28-23)32(15-30-20)25-22(34)21(33)19(39-25)13-38-26(35)17-8-10-18(11-9-17)40(36,37)31-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,14-15,19,21-22,25,31,33-34H,4,7,12-13H2,(H2,27,28,29)/t19-,21-,22-,25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)				J Med Chem 31: 1762-7 (1988) BindingDB Entry DOI: 10.7270/Q2CV4JB8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM50292490 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C18H19N5O7S/c1-31(27,28)10-4-2-9(3-5-10)18(26)29-6-11-13(24)14(25)17(30-11)23-8-22-12-15(19)20-7-21-16(12)23/h2-5,7-8,11,13-14,17,24-25H,6H2,1H3,(H2,19,20,21)/t11-,13-,14-,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)				J Med Chem 31: 1762-7 (1988) BindingDB Entry DOI: 10.7270/Q2CV4JB8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM50292491 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(N)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H18N6O7S/c18-14-11-15(21-6-20-14)23(7-22-11)16-13(25)12(24)10(30-16)5-29-17(26)8-1-3-9(4-2-8)31(19,27)28/h1-4,6-7,10,12-13,16,24-25H,5H2,(H2,18,20,21)(H2,19,27,28)/t10-,12-,13-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)				J Med Chem 31: 1762-7 (1988) BindingDB Entry DOI: 10.7270/Q2CV4JB8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM50292492 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES CC(=O)NC(Cc1ccc(OS(=O)(=O)c2ccc(cc2)C(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)C(N)=O |r| Show InChI InChI=1S/C28H29N7O10S/c1-14(36)34-19(25(30)39)10-15-2-6-17(7-3-15)45-46(41,42)18-8-4-16(5-9-18)28(40)43-11-20-22(37)23(38)27(44-20)35-13-33-21-24(29)31-12-32-26(21)35/h2-9,12-13,19-20,22-23,27,37-38H,10-11H2,1H3,(H2,30,39)(H,34,36)(H2,29,31,32)/t19?,20-,22-,23-,27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)				J Med Chem 31: 1762-7 (1988) BindingDB Entry DOI: 10.7270/Q2CV4JB8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM50292495 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H16FN5O7S/c18-31(27,28)9-3-1-8(2-4-9)17(26)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5H2,(H2,19,20,21)/t10-,12-,13-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)				J Med Chem 31: 1762-7 (1988) BindingDB Entry DOI: 10.7270/Q2CV4JB8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM50292497 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)Oc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H21N5O8S/c24-20-17-21(26-11-25-20)28(12-27-17)22-19(30)18(29)16(35-22)10-34-23(31)13-6-8-15(9-7-13)37(32,33)36-14-4-2-1-3-5-14/h1-9,11-12,16,18-19,22,29-30H,10H2,(H2,24,25,26)/t16-,18-,19-,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)				J Med Chem 31: 1762-7 (1988) BindingDB Entry DOI: 10.7270/Q2CV4JB8
					More data for this Ligand-Target Pair