Compile Data Set for Download or QSAR

Found 452 hits with Last Name = 'faris' and Initial = 'm'   

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 Lyn (Homo sapiens (Human))	BDBM264412 (US9714247, 134) Show SMILES CN1CCN(CCn2c3cc(Nc4ccc(F)cn4)ncc3cc(-c3c(F)cccc3F)c2=O)CC1 |(4,-6.93,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-5.33,4.62,;-6.67,3.85,;-8,4.62,;-6.67,2.31,;-5.33,1.54,;-1.33,3.85,;,4.62,;1.33,3.85,;2.67,4.62,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;8,4.62,;8,6.16,;6.67,6.93,;5.33,6.16,;4,6.93,;4,2.31,;5.33,1.54,;5.33,-3.08,;5.33,-4.62,)| Show InChI InChI=1S/C26H25F3N6O/c1-33-7-9-34(10-8-33)11-12-35-22-14-24(32-23-6-5-18(27)16-31-23)30-15-17(22)13-19(26(35)36)25-20(28)3-2-4-21(25)29/h2-6,13-16H,7-12H2,1H3,(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264413 (US9714247, 135) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-6.67,-1.15,;-8,-1.93,;-9.34,-1.15,;-10.67,-1.93,;-9.34,.38,;-8,1.15,;-4,.38,;-2.67,1.15,;-1.33,.38,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;2.67,-1.93,;4,-1.15,;5.33,-1.93,;5.33,-3.47,;6.67,-1.15,;8,-1.93,;6.67,.38,;5.33,1.15,;4,.38,;2.67,1.15,;1.33,.38,;8,1.15,;9.34,.38,;9.34,-1.15,;10.67,1.15,;10.67,2.69,;9.34,3.47,;8,2.69,;6.67,3.47,;-2.67,-1.93,;-4,-1.15,)| Show InChI InChI=1S/C27H28F2N6O/c1-33-11-9-18(10-12-33)34(2)19-7-8-24(31-16-19)32-25-14-23-17(15-30-25)13-20(27(36)35(23)3)26-21(28)5-4-6-22(26)29/h4-8,13-16,18H,9-12H2,1-3H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264413 (US9714247, 135) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-6.67,-1.15,;-8,-1.93,;-9.34,-1.15,;-10.67,-1.93,;-9.34,.38,;-8,1.15,;-4,.38,;-2.67,1.15,;-1.33,.38,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;2.67,-1.93,;4,-1.15,;5.33,-1.93,;5.33,-3.47,;6.67,-1.15,;8,-1.93,;6.67,.38,;5.33,1.15,;4,.38,;2.67,1.15,;1.33,.38,;8,1.15,;9.34,.38,;9.34,-1.15,;10.67,1.15,;10.67,2.69,;9.34,3.47,;8,2.69,;6.67,3.47,;-2.67,-1.93,;-4,-1.15,)| Show InChI InChI=1S/C27H28F2N6O/c1-33-11-9-18(10-12-33)34(2)19-7-8-24(31-16-19)32-25-14-23-17(15-30-25)13-20(27(36)35(23)3)26-21(28)5-4-6-22(26)29/h4-8,13-16,18H,9-12H2,1-3H3,(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264413 (US9714247, 135) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-6.67,-1.15,;-8,-1.93,;-9.34,-1.15,;-10.67,-1.93,;-9.34,.38,;-8,1.15,;-4,.38,;-2.67,1.15,;-1.33,.38,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;2.67,-1.93,;4,-1.15,;5.33,-1.93,;5.33,-3.47,;6.67,-1.15,;8,-1.93,;6.67,.38,;5.33,1.15,;4,.38,;2.67,1.15,;1.33,.38,;8,1.15,;9.34,.38,;9.34,-1.15,;10.67,1.15,;10.67,2.69,;9.34,3.47,;8,2.69,;6.67,3.47,;-2.67,-1.93,;-4,-1.15,)| Show InChI InChI=1S/C27H28F2N6O/c1-33-11-9-18(10-12-33)34(2)19-7-8-24(31-16-19)32-25-14-23-17(15-30-25)13-20(27(36)35(23)3)26-21(28)5-4-6-22(26)29/h4-8,13-16,18H,9-12H2,1-3H3,(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264414 (US9714247, 136) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.36,;-5.33,1.82,;-6.67,1.05,;-6.67,-.49,;-8,-1.26,;-9.34,-.49,;-10.67,-1.26,;-9.34,1.05,;-8,1.82,;-4,1.05,;-2.67,1.82,;-1.33,1.05,;-1.33,-.49,;,-1.26,;1.33,-.49,;2.67,-1.26,;4,-.49,;5.33,-1.26,;5.33,-2.8,;4.56,-4.13,;6.1,-4.13,;6.67,-.49,;8,-1.26,;6.67,1.05,;5.33,1.82,;4,1.05,;2.67,1.82,;1.33,1.05,;8,1.82,;9.34,1.05,;9.34,-.49,;10.67,1.82,;10.67,3.36,;9.34,4.13,;8,3.36,;6.67,4.13,;-2.67,-1.26,;-4,-.49,)| Show InChI InChI=1S/C29H30F2N6O/c1-35-12-10-19(11-13-35)36(2)21-8-9-26(33-17-21)34-27-15-25-18(16-32-27)14-22(29(38)37(25)20-6-7-20)28-23(30)4-3-5-24(28)31/h3-5,8-9,14-17,19-20H,6-7,10-13H2,1-2H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264414 (US9714247, 136) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.36,;-5.33,1.82,;-6.67,1.05,;-6.67,-.49,;-8,-1.26,;-9.34,-.49,;-10.67,-1.26,;-9.34,1.05,;-8,1.82,;-4,1.05,;-2.67,1.82,;-1.33,1.05,;-1.33,-.49,;,-1.26,;1.33,-.49,;2.67,-1.26,;4,-.49,;5.33,-1.26,;5.33,-2.8,;4.56,-4.13,;6.1,-4.13,;6.67,-.49,;8,-1.26,;6.67,1.05,;5.33,1.82,;4,1.05,;2.67,1.82,;1.33,1.05,;8,1.82,;9.34,1.05,;9.34,-.49,;10.67,1.82,;10.67,3.36,;9.34,4.13,;8,3.36,;6.67,4.13,;-2.67,-1.26,;-4,-.49,)| Show InChI InChI=1S/C29H30F2N6O/c1-35-12-10-19(11-13-35)36(2)21-8-9-26(33-17-21)34-27-15-25-18(16-32-27)14-22(29(38)37(25)20-6-7-20)28-23(30)4-3-5-24(28)31/h3-5,8-9,14-17,19-20H,6-7,10-13H2,1-2H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264414 (US9714247, 136) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.36,;-5.33,1.82,;-6.67,1.05,;-6.67,-.49,;-8,-1.26,;-9.34,-.49,;-10.67,-1.26,;-9.34,1.05,;-8,1.82,;-4,1.05,;-2.67,1.82,;-1.33,1.05,;-1.33,-.49,;,-1.26,;1.33,-.49,;2.67,-1.26,;4,-.49,;5.33,-1.26,;5.33,-2.8,;4.56,-4.13,;6.1,-4.13,;6.67,-.49,;8,-1.26,;6.67,1.05,;5.33,1.82,;4,1.05,;2.67,1.82,;1.33,1.05,;8,1.82,;9.34,1.05,;9.34,-.49,;10.67,1.82,;10.67,3.36,;9.34,4.13,;8,3.36,;6.67,4.13,;-2.67,-1.26,;-4,-.49,)| Show InChI InChI=1S/C29H30F2N6O/c1-35-12-10-19(11-13-35)36(2)21-8-9-26(33-17-21)34-27-15-25-18(16-32-27)14-22(29(38)37(25)20-6-7-20)28-23(30)4-3-5-24(28)31/h3-5,8-9,14-17,19-20H,6-7,10-13H2,1-2H3,(H,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264415 (US9714247, 137) Show SMILES CC(C)n1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2F)c1=O |(6.67,-3.85,;5.33,-3.08,;4,-3.85,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-9.34,.77,;-8,1.54,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;6.67,3.85,;6.67,-.77,;8,-1.54,)| Show InChI InChI=1S/C29H32F2N6O/c1-18(2)37-25-15-27(32-16-19(25)14-22(29(37)38)28-23(30)6-5-7-24(28)31)34-26-9-8-21(17-33-26)36(4)20-10-12-35(3)13-11-20/h5-9,14-18,20H,10-13H2,1-4H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264415 (US9714247, 137) Show SMILES CC(C)n1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2F)c1=O |(6.67,-3.85,;5.33,-3.08,;4,-3.85,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-9.34,.77,;-8,1.54,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;6.67,3.85,;6.67,-.77,;8,-1.54,)| Show InChI InChI=1S/C29H32F2N6O/c1-18(2)37-25-15-27(32-16-19(25)14-22(29(37)38)28-23(30)6-5-7-24(28)31)34-26-9-8-21(17-33-26)36(4)20-10-12-35(3)13-11-20/h5-9,14-18,20H,10-13H2,1-4H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264415 (US9714247, 137) Show SMILES CC(C)n1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2F)c1=O |(6.67,-3.85,;5.33,-3.08,;4,-3.85,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-9.34,.77,;-8,1.54,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;6.67,3.85,;6.67,-.77,;8,-1.54,)| Show InChI InChI=1S/C29H32F2N6O/c1-18(2)37-25-15-27(32-16-19(25)14-22(29(37)38)28-23(30)6-5-7-24(28)31)34-26-9-8-21(17-33-26)36(4)20-10-12-35(3)13-11-20/h5-9,14-18,20H,10-13H2,1-4H3,(H,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264416 (US9714247, 138) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.78,;-5.33,2.24,;-6.67,1.47,;-6.67,-.07,;-8,-.84,;-9.34,-.07,;-10.67,-.84,;-9.34,1.47,;-8,2.24,;-4,1.47,;-2.67,2.24,;-1.33,1.47,;-1.33,-.07,;,-.84,;1.33,-.07,;2.67,-.84,;4,-.07,;5.33,-.84,;5.33,-2.38,;4.25,-3.47,;5.33,-4.55,;6.42,-3.47,;6.67,-.07,;8,-.84,;6.67,1.47,;5.33,2.24,;4,1.47,;2.67,2.24,;1.33,1.47,;8,2.24,;9.34,1.47,;9.34,-.07,;10.67,2.24,;10.67,3.78,;9.34,4.55,;8,3.78,;6.67,4.55,;-2.67,-.84,;-4,-.07,)| Show InChI InChI=1S/C30H32F2N6O/c1-36-13-11-20(12-14-36)37(2)22-9-10-27(34-18-22)35-28-16-26-19(17-33-28)15-23(29-24(31)7-4-8-25(29)32)30(39)38(26)21-5-3-6-21/h4,7-10,15-18,20-21H,3,5-6,11-14H2,1-2H3,(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264416 (US9714247, 138) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.78,;-5.33,2.24,;-6.67,1.47,;-6.67,-.07,;-8,-.84,;-9.34,-.07,;-10.67,-.84,;-9.34,1.47,;-8,2.24,;-4,1.47,;-2.67,2.24,;-1.33,1.47,;-1.33,-.07,;,-.84,;1.33,-.07,;2.67,-.84,;4,-.07,;5.33,-.84,;5.33,-2.38,;4.25,-3.47,;5.33,-4.55,;6.42,-3.47,;6.67,-.07,;8,-.84,;6.67,1.47,;5.33,2.24,;4,1.47,;2.67,2.24,;1.33,1.47,;8,2.24,;9.34,1.47,;9.34,-.07,;10.67,2.24,;10.67,3.78,;9.34,4.55,;8,3.78,;6.67,4.55,;-2.67,-.84,;-4,-.07,)| Show InChI InChI=1S/C30H32F2N6O/c1-36-13-11-20(12-14-36)37(2)22-9-10-27(34-18-22)35-28-16-26-19(17-33-28)15-23(29-24(31)7-4-8-25(29)32)30(39)38(26)21-5-3-6-21/h4,7-10,15-18,20-21H,3,5-6,11-14H2,1-2H3,(H,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264416 (US9714247, 138) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.78,;-5.33,2.24,;-6.67,1.47,;-6.67,-.07,;-8,-.84,;-9.34,-.07,;-10.67,-.84,;-9.34,1.47,;-8,2.24,;-4,1.47,;-2.67,2.24,;-1.33,1.47,;-1.33,-.07,;,-.84,;1.33,-.07,;2.67,-.84,;4,-.07,;5.33,-.84,;5.33,-2.38,;4.25,-3.47,;5.33,-4.55,;6.42,-3.47,;6.67,-.07,;8,-.84,;6.67,1.47,;5.33,2.24,;4,1.47,;2.67,2.24,;1.33,1.47,;8,2.24,;9.34,1.47,;9.34,-.07,;10.67,2.24,;10.67,3.78,;9.34,4.55,;8,3.78,;6.67,4.55,;-2.67,-.84,;-4,-.07,)| Show InChI InChI=1S/C30H32F2N6O/c1-36-13-11-20(12-14-36)37(2)22-9-10-27(34-18-22)35-28-16-26-19(17-33-28)15-23(29-24(31)7-4-8-25(29)32)30(39)38(26)21-5-3-6-21/h4,7-10,15-18,20-21H,3,5-6,11-14H2,1-2H3,(H,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264417 (US9714247, 139) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CCCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.88,;-5.33,2.34,;-6.67,1.57,;-6.67,.03,;-8,-.74,;-9.34,.03,;-10.67,-.74,;-9.34,1.57,;-8,2.34,;-4,1.57,;-2.67,2.34,;-1.33,1.57,;-1.33,.03,;,-.74,;1.33,.03,;2.67,-.74,;4,.03,;5.33,-.74,;5.33,-2.28,;4.09,-3.19,;4.56,-4.65,;6.1,-4.65,;6.58,-3.19,;6.67,.03,;8,-.74,;6.67,1.57,;5.33,2.34,;4,1.57,;2.67,2.34,;1.33,1.57,;8,2.34,;9.34,1.57,;9.34,.03,;10.67,2.34,;10.67,3.88,;9.34,4.65,;8,3.88,;6.67,4.65,;-2.67,-.74,;-4,.03,)| Show InChI InChI=1S/C31H34F2N6O/c1-37-14-12-21(13-15-37)38(2)23-10-11-28(35-19-23)36-29-17-27-20(18-34-29)16-24(30-25(32)8-5-9-26(30)33)31(40)39(27)22-6-3-4-7-22/h5,8-11,16-19,21-22H,3-4,6-7,12-15H2,1-2H3,(H,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264417 (US9714247, 139) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CCCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.88,;-5.33,2.34,;-6.67,1.57,;-6.67,.03,;-8,-.74,;-9.34,.03,;-10.67,-.74,;-9.34,1.57,;-8,2.34,;-4,1.57,;-2.67,2.34,;-1.33,1.57,;-1.33,.03,;,-.74,;1.33,.03,;2.67,-.74,;4,.03,;5.33,-.74,;5.33,-2.28,;4.09,-3.19,;4.56,-4.65,;6.1,-4.65,;6.58,-3.19,;6.67,.03,;8,-.74,;6.67,1.57,;5.33,2.34,;4,1.57,;2.67,2.34,;1.33,1.57,;8,2.34,;9.34,1.57,;9.34,.03,;10.67,2.34,;10.67,3.88,;9.34,4.65,;8,3.88,;6.67,4.65,;-2.67,-.74,;-4,.03,)| Show InChI InChI=1S/C31H34F2N6O/c1-37-14-12-21(13-15-37)38(2)23-10-11-28(35-19-23)36-29-17-27-20(18-34-29)16-24(30-25(32)8-5-9-26(30)33)31(40)39(27)22-6-3-4-7-22/h5,8-11,16-19,21-22H,3-4,6-7,12-15H2,1-2H3,(H,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264417 (US9714247, 139) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CCCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.88,;-5.33,2.34,;-6.67,1.57,;-6.67,.03,;-8,-.74,;-9.34,.03,;-10.67,-.74,;-9.34,1.57,;-8,2.34,;-4,1.57,;-2.67,2.34,;-1.33,1.57,;-1.33,.03,;,-.74,;1.33,.03,;2.67,-.74,;4,.03,;5.33,-.74,;5.33,-2.28,;4.09,-3.19,;4.56,-4.65,;6.1,-4.65,;6.58,-3.19,;6.67,.03,;8,-.74,;6.67,1.57,;5.33,2.34,;4,1.57,;2.67,2.34,;1.33,1.57,;8,2.34,;9.34,1.57,;9.34,.03,;10.67,2.34,;10.67,3.88,;9.34,4.65,;8,3.88,;6.67,4.65,;-2.67,-.74,;-4,.03,)| Show InChI InChI=1S/C31H34F2N6O/c1-37-14-12-21(13-15-37)38(2)23-10-11-28(35-19-23)36-29-17-27-20(18-34-29)16-24(30-25(32)8-5-9-26(30)33)31(40)39(27)22-6-3-4-7-22/h5,8-11,16-19,21-22H,3-4,6-7,12-15H2,1-2H3,(H,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264418 (US9714247, 140) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-8,-2.69,;-9.34,-1.93,;-10.67,-2.69,;-9.34,-.38,;-8,.38,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;8,-2.69,;6.67,-.38,;5.33,.38,;4,-.38,;2.67,.38,;1.33,-.38,;8,.38,;9.34,-.38,;9.34,-1.93,;10.67,.38,;10.67,1.93,;9.34,2.69,;8,1.93,;6.67,2.69,;-2.67,-2.69,;-4,-1.93,)| Show InChI InChI=1S/C26H26F2N6O/c1-33-10-8-17(9-11-33)34(2)18-6-7-23(30-15-18)32-24-13-22-16(14-29-24)12-19(26(35)31-22)25-20(27)4-3-5-21(25)28/h3-7,12-15,17H,8-11H2,1-2H3,(H,31,35)(H,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264418 (US9714247, 140) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-8,-2.69,;-9.34,-1.93,;-10.67,-2.69,;-9.34,-.38,;-8,.38,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;8,-2.69,;6.67,-.38,;5.33,.38,;4,-.38,;2.67,.38,;1.33,-.38,;8,.38,;9.34,-.38,;9.34,-1.93,;10.67,.38,;10.67,1.93,;9.34,2.69,;8,1.93,;6.67,2.69,;-2.67,-2.69,;-4,-1.93,)| Show InChI InChI=1S/C26H26F2N6O/c1-33-10-8-17(9-11-33)34(2)18-6-7-23(30-15-18)32-24-13-22-16(14-29-24)12-19(26(35)31-22)25-20(27)4-3-5-21(25)28/h3-7,12-15,17H,8-11H2,1-2H3,(H,31,35)(H,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264418 (US9714247, 140) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-8,-2.69,;-9.34,-1.93,;-10.67,-2.69,;-9.34,-.38,;-8,.38,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;8,-2.69,;6.67,-.38,;5.33,.38,;4,-.38,;2.67,.38,;1.33,-.38,;8,.38,;9.34,-.38,;9.34,-1.93,;10.67,.38,;10.67,1.93,;9.34,2.69,;8,1.93,;6.67,2.69,;-2.67,-2.69,;-4,-1.93,)| Show InChI InChI=1S/C26H26F2N6O/c1-33-10-8-17(9-11-33)34(2)18-6-7-23(30-15-18)32-24-13-22-16(14-29-24)12-19(26(35)31-22)25-20(27)4-3-5-21(25)28/h3-7,12-15,17H,8-11H2,1-2H3,(H,31,35)(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264419 (US9714247, 141 | US9714247, 142) Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)| Show InChI InChI=1S/C23H17F3N4O2/c24-14-4-5-20(28-11-14)29-21-9-19-13(10-27-21)8-16(22-17(25)2-1-3-18(22)26)23(31)30(19)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264419 (US9714247, 141 | US9714247, 142) Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)| Show InChI InChI=1S/C23H17F3N4O2/c24-14-4-5-20(28-11-14)29-21-9-19-13(10-27-21)8-16(22-17(25)2-1-3-18(22)26)23(31)30(19)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264419 (US9714247, 141 | US9714247, 142) Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)| Show InChI InChI=1S/C23H17F3N4O2/c24-14-4-5-20(28-11-14)29-21-9-19-13(10-27-21)8-16(22-17(25)2-1-3-18(22)26)23(31)30(19)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264419 (US9714247, 141 | US9714247, 142) Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)| Show InChI InChI=1S/C23H17F3N4O2/c24-14-4-5-20(28-11-14)29-21-9-19-13(10-27-21)8-16(22-17(25)2-1-3-18(22)26)23(31)30(19)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264419 (US9714247, 141 | US9714247, 142) Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)| Show InChI InChI=1S/C23H17F3N4O2/c24-14-4-5-20(28-11-14)29-21-9-19-13(10-27-21)8-16(22-17(25)2-1-3-18(22)26)23(31)30(19)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264421 (US9714247, 143 | US9714247, 144) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-8,-6.16,;-6.67,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-8.47,;-4,-5.39,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;2.67,3.08,;2.67,1.54,;1.42,.63,;1.9,-.83,;3.44,-.83,;3.91,.63,;4,3.85,;5.33,3.08,;4,5.39,;2.67,6.16,;1.33,5.39,;,6.16,;-1.33,5.39,;5.33,6.16,;5.33,7.7,;4,8.47,;6.67,8.47,;8,7.7,;8,6.16,;6.67,5.39,;6.67,3.85,;-4,.77,;-4,-.77,)| Show InChI InChI=1S/C29H31F2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264421 (US9714247, 143 | US9714247, 144) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-8,-6.16,;-6.67,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-8.47,;-4,-5.39,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;2.67,3.08,;2.67,1.54,;1.42,.63,;1.9,-.83,;3.44,-.83,;3.91,.63,;4,3.85,;5.33,3.08,;4,5.39,;2.67,6.16,;1.33,5.39,;,6.16,;-1.33,5.39,;5.33,6.16,;5.33,7.7,;4,8.47,;6.67,8.47,;8,7.7,;8,6.16,;6.67,5.39,;6.67,3.85,;-4,.77,;-4,-.77,)| Show InChI InChI=1S/C29H31F2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264421 (US9714247, 143 | US9714247, 144) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-8,-6.16,;-6.67,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-8.47,;-4,-5.39,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;2.67,3.08,;2.67,1.54,;1.42,.63,;1.9,-.83,;3.44,-.83,;3.91,.63,;4,3.85,;5.33,3.08,;4,5.39,;2.67,6.16,;1.33,5.39,;,6.16,;-1.33,5.39,;5.33,6.16,;5.33,7.7,;4,8.47,;6.67,8.47,;8,7.7,;8,6.16,;6.67,5.39,;6.67,3.85,;-4,.77,;-4,-.77,)| Show InChI InChI=1S/C29H31F2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264421 (US9714247, 143 | US9714247, 144) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-8,-6.16,;-6.67,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-8.47,;-4,-5.39,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;2.67,3.08,;2.67,1.54,;1.42,.63,;1.9,-.83,;3.44,-.83,;3.91,.63,;4,3.85,;5.33,3.08,;4,5.39,;2.67,6.16,;1.33,5.39,;,6.16,;-1.33,5.39,;5.33,6.16,;5.33,7.7,;4,8.47,;6.67,8.47,;8,7.7,;8,6.16,;6.67,5.39,;6.67,3.85,;-4,.77,;-4,-.77,)| Show InChI InChI=1S/C29H31F2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264421 (US9714247, 143 | US9714247, 144) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-8,-6.16,;-6.67,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-8.47,;-4,-5.39,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;2.67,3.08,;2.67,1.54,;1.42,.63,;1.9,-.83,;3.44,-.83,;3.91,.63,;4,3.85,;5.33,3.08,;4,5.39,;2.67,6.16,;1.33,5.39,;,6.16,;-1.33,5.39,;5.33,6.16,;5.33,7.7,;4,8.47,;6.67,8.47,;8,7.7,;8,6.16,;6.67,5.39,;6.67,3.85,;-4,.77,;-4,-.77,)| Show InChI InChI=1S/C29H31F2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264421 (US9714247, 143 | US9714247, 144) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-8,-6.16,;-6.67,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-8.47,;-4,-5.39,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;2.67,3.08,;2.67,1.54,;1.42,.63,;1.9,-.83,;3.44,-.83,;3.91,.63,;4,3.85,;5.33,3.08,;4,5.39,;2.67,6.16,;1.33,5.39,;,6.16,;-1.33,5.39,;5.33,6.16,;5.33,7.7,;4,8.47,;6.67,8.47,;8,7.7,;8,6.16,;6.67,5.39,;6.67,3.85,;-4,.77,;-4,-.77,)| Show InChI InChI=1S/C29H31F2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264423 (US9714247, 145 | US9714247, 146) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-11.34,1.57,;-10,2.34,;-8.67,1.57,;-8.67,.03,;-10,-.74,;-7.34,2.34,;-6,1.57,;-4.67,2.34,;-3.33,1.57,;-3.33,.03,;-2,-.74,;-.67,.03,;.67,-.74,;2,.03,;3.33,-.74,;4.67,.03,;6,-.74,;6,-2.28,;4.76,-3.19,;5.23,-4.65,;6.77,-4.65,;7.25,-3.19,;7.34,.03,;8.67,-.74,;7.34,1.57,;6,2.34,;4.67,1.57,;3.33,2.34,;2,1.57,;8.67,2.34,;10,1.57,;10,.03,;11.34,2.34,;11.34,3.88,;10,4.65,;8.67,3.88,;7.34,4.65,;-.67,1.57,;-2,2.34,)| Show InChI InChI=1S/C29H31Cl2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264423 (US9714247, 145 | US9714247, 146) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-11.34,1.57,;-10,2.34,;-8.67,1.57,;-8.67,.03,;-10,-.74,;-7.34,2.34,;-6,1.57,;-4.67,2.34,;-3.33,1.57,;-3.33,.03,;-2,-.74,;-.67,.03,;.67,-.74,;2,.03,;3.33,-.74,;4.67,.03,;6,-.74,;6,-2.28,;4.76,-3.19,;5.23,-4.65,;6.77,-4.65,;7.25,-3.19,;7.34,.03,;8.67,-.74,;7.34,1.57,;6,2.34,;4.67,1.57,;3.33,2.34,;2,1.57,;8.67,2.34,;10,1.57,;10,.03,;11.34,2.34,;11.34,3.88,;10,4.65,;8.67,3.88,;7.34,4.65,;-.67,1.57,;-2,2.34,)| Show InChI InChI=1S/C29H31Cl2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264423 (US9714247, 145 | US9714247, 146) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-11.34,1.57,;-10,2.34,;-8.67,1.57,;-8.67,.03,;-10,-.74,;-7.34,2.34,;-6,1.57,;-4.67,2.34,;-3.33,1.57,;-3.33,.03,;-2,-.74,;-.67,.03,;.67,-.74,;2,.03,;3.33,-.74,;4.67,.03,;6,-.74,;6,-2.28,;4.76,-3.19,;5.23,-4.65,;6.77,-4.65,;7.25,-3.19,;7.34,.03,;8.67,-.74,;7.34,1.57,;6,2.34,;4.67,1.57,;3.33,2.34,;2,1.57,;8.67,2.34,;10,1.57,;10,.03,;11.34,2.34,;11.34,3.88,;10,4.65,;8.67,3.88,;7.34,4.65,;-.67,1.57,;-2,2.34,)| Show InChI InChI=1S/C29H31Cl2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264423 (US9714247, 145 | US9714247, 146) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-11.34,1.57,;-10,2.34,;-8.67,1.57,;-8.67,.03,;-10,-.74,;-7.34,2.34,;-6,1.57,;-4.67,2.34,;-3.33,1.57,;-3.33,.03,;-2,-.74,;-.67,.03,;.67,-.74,;2,.03,;3.33,-.74,;4.67,.03,;6,-.74,;6,-2.28,;4.76,-3.19,;5.23,-4.65,;6.77,-4.65,;7.25,-3.19,;7.34,.03,;8.67,-.74,;7.34,1.57,;6,2.34,;4.67,1.57,;3.33,2.34,;2,1.57,;8.67,2.34,;10,1.57,;10,.03,;11.34,2.34,;11.34,3.88,;10,4.65,;8.67,3.88,;7.34,4.65,;-.67,1.57,;-2,2.34,)| Show InChI InChI=1S/C29H31Cl2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264423 (US9714247, 145 | US9714247, 146) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-11.34,1.57,;-10,2.34,;-8.67,1.57,;-8.67,.03,;-10,-.74,;-7.34,2.34,;-6,1.57,;-4.67,2.34,;-3.33,1.57,;-3.33,.03,;-2,-.74,;-.67,.03,;.67,-.74,;2,.03,;3.33,-.74,;4.67,.03,;6,-.74,;6,-2.28,;4.76,-3.19,;5.23,-4.65,;6.77,-4.65,;7.25,-3.19,;7.34,.03,;8.67,-.74,;7.34,1.57,;6,2.34,;4.67,1.57,;3.33,2.34,;2,1.57,;8.67,2.34,;10,1.57,;10,.03,;11.34,2.34,;11.34,3.88,;10,4.65,;8.67,3.88,;7.34,4.65,;-.67,1.57,;-2,2.34,)| Show InChI InChI=1S/C29H31Cl2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264423 (US9714247, 145 | US9714247, 146) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-11.34,1.57,;-10,2.34,;-8.67,1.57,;-8.67,.03,;-10,-.74,;-7.34,2.34,;-6,1.57,;-4.67,2.34,;-3.33,1.57,;-3.33,.03,;-2,-.74,;-.67,.03,;.67,-.74,;2,.03,;3.33,-.74,;4.67,.03,;6,-.74,;6,-2.28,;4.76,-3.19,;5.23,-4.65,;6.77,-4.65,;7.25,-3.19,;7.34,.03,;8.67,-.74,;7.34,1.57,;6,2.34,;4.67,1.57,;3.33,2.34,;2,1.57,;8.67,2.34,;10,1.57,;10,.03,;11.34,2.34,;11.34,3.88,;10,4.65,;8.67,3.88,;7.34,4.65,;-.67,1.57,;-2,2.34,)| Show InChI InChI=1S/C29H31Cl2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264425 (US9714247, 147 | US9714247, 148) Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)| Show InChI InChI=1S/C23H17Cl2FN4O2/c24-17-2-1-3-18(25)22(17)16-8-13-10-27-21(29-20-5-4-14(26)11-28-20)9-19(13)30(23(16)31)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264425 (US9714247, 147 | US9714247, 148) Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)| Show InChI InChI=1S/C23H17Cl2FN4O2/c24-17-2-1-3-18(25)22(17)16-8-13-10-27-21(29-20-5-4-14(26)11-28-20)9-19(13)30(23(16)31)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264425 (US9714247, 147 | US9714247, 148) Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)| Show InChI InChI=1S/C23H17Cl2FN4O2/c24-17-2-1-3-18(25)22(17)16-8-13-10-27-21(29-20-5-4-14(26)11-28-20)9-19(13)30(23(16)31)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264425 (US9714247, 147 | US9714247, 148) Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)| Show InChI InChI=1S/C23H17Cl2FN4O2/c24-17-2-1-3-18(25)22(17)16-8-13-10-27-21(29-20-5-4-14(26)11-28-20)9-19(13)30(23(16)31)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264425 (US9714247, 147 | US9714247, 148) Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)| Show InChI InChI=1S/C23H17Cl2FN4O2/c24-17-2-1-3-18(25)22(17)16-8-13-10-27-21(29-20-5-4-14(26)11-28-20)9-19(13)30(23(16)31)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264425 (US9714247, 147 | US9714247, 148) Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)| Show InChI InChI=1S/C23H17Cl2FN4O2/c24-17-2-1-3-18(25)22(17)16-8-13-10-27-21(29-20-5-4-14(26)11-28-20)9-19(13)30(23(16)31)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264428 (US9714247, 150) Show SMILES CN1CC[C@@H](C1)n1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |r,wD:4.6,(2.21,-4.86,;1.44,-3.52,;-.1,-3.52,;-.58,-2.06,;.67,-1.15,;1.91,-2.06,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.47,;-.67,2.69,;.67,3.47,;2,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;2,1.15,;3.33,.38,)| Show InChI InChI=1S/C24H20F3N5O/c1-31-8-7-16(13-31)32-20-10-22(30-21-6-5-15(25)12-29-21)28-11-14(20)9-17(24(32)33)23-18(26)3-2-4-19(23)27/h2-6,9-12,16H,7-8,13H2,1H3,(H,28,29,30)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264354 (US9714247, 75) Show SMILES CCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(2,-1.93,;.67,-1.16,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.16,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.24,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.46,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;2,5.78,;4.67,5.77,;6,5,;6,3.46,;4.67,2.69,;4.67,1.16,;2,1.15,;3.33,.38,)| Show InChI InChI=1S/C21H15F3N4O/c1-2-28-17-9-19(27-18-7-6-13(22)11-26-18)25-10-12(17)8-14(21(28)29)20-15(23)4-3-5-16(20)24/h3-11H,2H2,1H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264397 (US9714247, 119) Show SMILES CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2cc(OC)ccc2F)c1=O Show InChI InChI=1S/C29H33FN6O2/c1-5-36-26-16-28(33-27-9-6-21(18-32-27)35(3)20-10-12-34(2)13-11-20)31-17-19(26)14-24(29(36)37)23-15-22(38-4)7-8-25(23)30/h6-9,14-18,20H,5,10-13H2,1-4H3,(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264378 (US9714247, 99) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccc(F)cc2C)nc1 Show InChI InChI=1S/C28H32FN5O2/c1-5-33(6-2)12-13-36-22-9-11-26(31-18-22)32-27-16-25-20(17-30-27)15-24(28(35)34(25)7-3)23-10-8-21(29)14-19(23)4/h8-11,14-18H,5-7,12-13H2,1-4H3,(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264378 (US9714247, 99) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccc(F)cc2C)nc1 Show InChI InChI=1S/C28H32FN5O2/c1-5-33(6-2)12-13-36-22-9-11-26(31-18-22)32-27-16-25-20(17-30-27)15-24(28(35)34(25)7-3)23-10-8-21(29)14-19(23)4/h8-11,14-18H,5-7,12-13H2,1-4H3,(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264379 (US9714247, 100) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccc(F)cc2F)nc1 Show InChI InChI=1S/C27H29F2N5O2/c1-4-33(5-2)11-12-36-20-8-10-25(31-17-20)32-26-15-24-18(16-30-26)13-22(27(35)34(24)6-3)21-9-7-19(28)14-23(21)29/h7-10,13-17H,4-6,11-12H2,1-3H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264379 (US9714247, 100) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccc(F)cc2F)nc1 Show InChI InChI=1S/C27H29F2N5O2/c1-4-33(5-2)11-12-36-20-8-10-25(31-17-20)32-26-15-24-18(16-30-26)13-22(27(35)34(24)6-3)21-9-7-19(28)14-23(21)29/h7-10,13-17H,4-6,11-12H2,1-3H3,(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264379 (US9714247, 100) Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccc(F)cc2F)nc1 Show InChI InChI=1S/C27H29F2N5O2/c1-4-33(5-2)11-12-36-20-8-10-25(31-17-20)32-26-15-24-18(16-30-26)13-22(27(35)34(24)6-3)21-9-7-19(28)14-23(21)29/h7-10,13-17H,4-6,11-12H2,1-3H3,(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair

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