Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 3525   

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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35948 (4-pyridinoxy-2-anilinopyridine-based compound, 12) Show SMILES COc1cccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)c1 Show InChI InChI=1S/C24H22N4O2/c1-16-13-22(24(27-17(16)2)21-9-4-5-11-25-21)30-20-10-12-26-23(15-20)28-18-7-6-8-19(14-18)29-3/h4-15H,1-3H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	32	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35949 (4-pyridinoxy-2-anilinopyridine-based compound, 13) Show SMILES Cc1cc(Oc2ccnc(Nc3cccc(c3)N3CCOCC3)c2)c(nc1C)-c1ccccn1 Show InChI InChI=1S/C27H27N5O2/c1-19-16-25(27(30-20(19)2)24-8-3-4-10-28-24)34-23-9-11-29-26(18-23)31-21-6-5-7-22(17-21)32-12-14-33-15-13-32/h3-11,16-18H,12-15H2,1-2H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	62	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35946 (4-pyridinoxy-2-anilinopyridine-based compound, 10) Show SMILES COc1ccccc1Nc1cc(Oc2cc(C)c(C)nc2-c2ccccn2)ccn1 Show InChI InChI=1S/C24H22N4O2/c1-16-14-22(24(27-17(16)2)20-9-6-7-12-25-20)30-18-11-13-26-23(15-18)28-19-8-4-5-10-21(19)29-3/h4-15H,1-3H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	114	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35953 (4-pyridinoxy-2-anilinopyridine-based compound, 17) Show SMILES CN(C)C(=O)c1ccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc1 Show InChI InChI=1S/C26H25N5O2/c1-17-15-23(25(29-18(17)2)22-7-5-6-13-27-22)33-21-12-14-28-24(16-21)30-20-10-8-19(9-11-20)26(32)31(3)4/h5-16H,1-4H3,(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	31	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35941 (4-pyridinoxy-2-anilinopyridine-based compound, 5) Show SMILES COc1cc(Nc2cc(Oc3ccc(C)nc3-c3ccccn3)ccn2)cc(OC)c1OC Show InChI InChI=1S/C25H24N4O4/c1-16-8-9-20(24(28-16)19-7-5-6-11-26-19)33-18-10-12-27-23(15-18)29-17-13-21(30-2)25(32-4)22(14-17)31-3/h5-15H,1-4H3,(H,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	20	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35952 (4-pyridinoxy-2-anilinopyridine-based compound, 16) Show SMILES Cc1cc(Oc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)c2)c(nc1C)-c1ccccn1 Show InChI InChI=1S/C23H21N5O3S/c1-15-13-21(23(27-16(15)2)20-5-3-4-11-25-20)31-18-10-12-26-22(14-18)28-17-6-8-19(9-7-17)32(24,29)30/h3-14H,1-2H3,(H,26,28)(H2,24,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	27	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35950 (4-pyridinoxy-2-anilinopyridine-based compound, 14) Show SMILES COc1ccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc1 Show InChI InChI=1S/C24H22N4O2/c1-16-14-22(24(27-17(16)2)21-6-4-5-12-25-21)30-20-11-13-26-23(15-20)28-18-7-9-19(29-3)10-8-18/h4-15H,1-3H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	35	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35942 (4-pyridinoxy-2-anilinopyridine-based compound, 6) Show SMILES COc1cc(Nc2cc(Oc3ccc(C)nc3C)ccn2)cc(OC)c1OC Show InChI InChI=1S/C21H23N3O4/c1-13-6-7-17(14(2)23-13)28-16-8-9-22-20(12-16)24-15-10-18(25-3)21(27-5)19(11-15)26-4/h6-12H,1-5H3,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	21	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35939 (4-pyridinoxy-2-anilinopyridine-based compound, 1) Show SMILES COc1cc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc(OC)c1OC Show InChI InChI=1S/C26H26N4O4/c1-16-12-21(25(29-17(16)2)20-8-6-7-10-27-20)34-19-9-11-28-24(15-19)30-18-13-22(31-3)26(33-5)23(14-18)32-4/h6-15H,1-5H3,(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	44	n/a	55	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair				3D Structure (crystal)
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35955 (4-pyridinoxy-2-anilinopyridine-based compound, 19) Show SMILES Cc1ccc(Oc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)c2)c(C)n1 Show InChI InChI=1S/C18H18N4O3S/c1-12-3-8-17(13(2)21-12)25-15-9-10-20-18(11-15)22-14-4-6-16(7-5-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	72	n/a	22	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair				3D Structure (crystal)
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35945 (4-pyridinoxy-2-anilinopyridine-based compound, 9) Show SMILES COc1cc(Nc2cc(Oc3cccnc3C)ccn2)cc(OC)c1OC Show InChI InChI=1S/C20H21N3O4/c1-13-16(6-5-8-21-13)27-15-7-9-22-19(12-15)23-14-10-17(24-2)20(26-4)18(11-14)25-3/h5-12H,1-4H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	628	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35944 (4-pyridinoxy-2-anilinopyridine-based compound, 8) Show SMILES COc1cc(Nc2cc(Oc3ccc(C)nc3)ccn2)cc(OC)c1OC Show InChI InChI=1S/C20H21N3O4/c1-13-5-6-16(12-22-13)27-15-7-8-21-19(11-15)23-14-9-17(24-2)20(26-4)18(10-14)25-3/h5-12H,1-4H3,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	282	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35951 (4-pyridinoxy-2-anilinopyridine-based compound, 15) Show SMILES Cc1cc(Oc2ccnc(Nc3ccc(cc3)N3CCOCC3)c2)c(nc1C)-c1ccccn1 Show InChI InChI=1S/C27H27N5O2/c1-19-17-25(27(30-20(19)2)24-5-3-4-11-28-24)34-23-10-12-29-26(18-23)31-21-6-8-22(9-7-21)32-13-15-33-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	146	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35954 (4-pyridinoxy-2-anilinopyridine-based compound, 18) Show SMILES Cc1cc(Oc2ccnc(Nc3ccc(F)cc3)c2)c(nc1C)-c1ccccn1 Show InChI InChI=1S/C23H19FN4O/c1-15-13-21(23(27-16(15)2)20-5-3-4-11-25-20)29-19-10-12-26-22(14-19)28-18-8-6-17(24)7-9-18/h3-14H,1-2H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	63	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35943 (4-pyridinoxy-2-anilinopyridine-based compound, 7) Show SMILES COc1cc(Nc2cc(Oc3cccnc3)ccn2)cc(OC)c1OC Show InChI InChI=1S/C19H19N3O4/c1-23-16-9-13(10-17(24-2)19(16)25-3)22-18-11-14(6-8-21-18)26-15-5-4-7-20-12-15/h4-12H,1-3H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	227	n/a	>5.80E+3	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM35947 (4-pyridinoxy-2-anilinopyridine-based compound, 11) Show SMILES Cc1cc(Oc2ccnc(Nc3ccccc3N3CCOCC3)c2)c(nc1C)-c1ccccn1 Show InChI InChI=1S/C27H27N5O2/c1-19-17-25(27(30-20(19)2)23-8-5-6-11-28-23)34-21-10-12-29-26(18-21)31-22-7-3-4-9-24(22)32-13-15-33-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	739	n/a	>3.00E+3	n/a	n/a	7.4	23
AstraZeneca					Assay Description A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...				J Med Chem 52: 7901-5 (2009) Article DOI: 10.1021/jm900807w BindingDB Entry DOI: 10.7270/Q2KS6PXG
					More data for this Ligand-Target Pair