Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50033811   

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))	BDBM50252542 (3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...) Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1 Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) Show SMILES Cc1cccc(n1)-c1nc([nH]c1-c1ccc2OCOc2c1)C(C)(C)C Show InChI InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	594	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351813 (CHEMBL1824433) Show SMILES Cc1cccc(n1)-c1nn(CC(=O)Nc2cccc(c2)C#N)cc1-c1ccc2nc(C)c(C)nc2c1 Show InChI InChI=1S/C28H23N7O/c1-17-6-4-9-25(30-17)28-23(21-10-11-24-26(13-21)32-19(3)18(2)31-24)15-35(34-28)16-27(36)33-22-8-5-7-20(12-22)14-29/h4-13,15H,16H2,1-3H3,(H,33,36)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351814 (CHEMBL1824434) Show SMILES Cc1cccc(n1)-c1c(cnn1CC(=O)Nc1ccccc1)-c1ccc2nccnc2c1 Show InChI InChI=1S/C25H20N6O/c1-17-6-5-9-22(29-17)25-20(18-10-11-21-23(14-18)27-13-12-26-21)15-28-31(25)16-24(32)30-19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,30,32)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351815 (CHEMBL1824435) Show SMILES Cc1cccc(n1)-c1c(cnn1CC(=O)Nc1ccccc1)-c1ccc2nc(C)c(C)nc2c1 Show InChI InChI=1S/C27H24N6O/c1-17-8-7-11-24(29-17)27-22(20-12-13-23-25(14-20)31-19(3)18(2)30-23)15-28-33(27)16-26(34)32-21-9-5-4-6-10-21/h4-15H,16H2,1-3H3,(H,32,34)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351816 (CHEMBL1824436) Show SMILES Cc1cccc(n1)-c1c(cnn1CC(=O)Nc1cccc(c1)C#N)-c1ccc2nccnc2c1 Show InChI InChI=1S/C26H19N7O/c1-17-4-2-7-23(31-17)26-21(19-8-9-22-24(13-19)29-11-10-28-22)15-30-33(26)16-25(34)32-20-6-3-5-18(12-20)14-27/h2-13,15H,16H2,1H3,(H,32,34)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351817 (CHEMBL1824437) Show SMILES Cc1cccc(n1)-c1c(cnn1CC(=O)Nc1cccc(c1)C#N)-c1ccc2nc(C)c(C)nc2c1 Show InChI InChI=1S/C28H23N7O/c1-17-6-4-9-25(31-17)28-23(21-10-11-24-26(13-21)33-19(3)18(2)32-24)15-30-35(28)16-27(36)34-22-8-5-7-20(12-22)14-29/h4-13,15H,16H2,1-3H3,(H,34,36)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351818 (CHEMBL1824438) Show SMILES Cc1cccc(n1)-c1nn(CCC(=O)Nc2ccccc2)cc1-c1ccc2nccnc2c1 Show InChI InChI=1S/C26H22N6O/c1-18-6-5-9-23(29-18)26-21(19-10-11-22-24(16-19)28-14-13-27-22)17-32(31-26)15-12-25(33)30-20-7-3-2-4-8-20/h2-11,13-14,16-17H,12,15H2,1H3,(H,30,33)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351819 (CHEMBL1824439) Show SMILES Cc1cccc(n1)-c1nn(CCC(=O)Nc2cccc(c2)C#N)cc1-c1ccc2nc(C)c(C)nc2c1 Show InChI InChI=1S/C29H25N7O/c1-18-6-4-9-26(31-18)29-24(22-10-11-25-27(15-22)33-20(3)19(2)32-25)17-36(35-29)13-12-28(37)34-23-8-5-7-21(14-23)16-30/h4-11,14-15,17H,12-13H2,1-3H3,(H,34,37)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351820 (CHEMBL1824440) Show SMILES Cc1cccc(n1)-c1nn(CC(=S)Nc2ccccc2)cc1-c1ccc2nccnc2c1 Show InChI InChI=1S/C25H20N6S/c1-17-6-5-9-22(28-17)25-20(18-10-11-21-23(14-18)27-13-12-26-21)15-31(30-25)16-24(32)29-19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,29,32)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351821 (CHEMBL1824441) Show SMILES Cc1cccc(n1)-c1nn(CC(=S)Nc2ccccc2)cc1-c1ccc2nc(C)c(C)nc2c1 Show InChI InChI=1S/C27H24N6S/c1-17-8-7-11-24(28-17)27-22(20-12-13-23-25(14-20)30-19(3)18(2)29-23)15-33(32-27)16-26(34)31-21-9-5-4-6-10-21/h4-15H,16H2,1-3H3,(H,31,34)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351822 (CHEMBL1824442) Show SMILES Cc1cccc(n1)-c1nn(CC(=S)Nc2cccc(c2)C#N)cc1-c1ccc2nccnc2c1 Show InChI InChI=1S/C26H19N7S/c1-17-4-2-7-23(30-17)26-21(19-8-9-22-24(13-19)29-11-10-28-22)15-33(32-26)16-25(34)31-20-6-3-5-18(12-20)14-27/h2-13,15H,16H2,1H3,(H,31,34)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351823 (CHEMBL1824443) Show SMILES Cc1cccc(n1)-c1nn(CC(=S)Nc2cccc(c2)C#N)cc1-c1ccc2nc(C)c(C)nc2c1 Show InChI InChI=1S/C28H23N7S/c1-17-6-4-9-25(30-17)28-23(21-10-11-24-26(13-21)32-19(3)18(2)31-24)15-35(34-28)16-27(36)33-22-8-5-7-20(12-22)14-29/h4-13,15H,16H2,1-3H3,(H,33,36)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351824 (CHEMBL1824444) Show SMILES Cc1cccc(n1)-c1nn(CC(=O)Nc2cccc(c2)C(N)=O)cc1-c1ccc2nccnc2c1 Show InChI InChI=1S/C26H21N7O2/c1-16-4-2-7-22(30-16)25-20(17-8-9-21-23(13-17)29-11-10-28-21)14-33(32-25)15-24(34)31-19-6-3-5-18(12-19)26(27)35/h2-14H,15H2,1H3,(H2,27,35)(H,31,34)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351825 (CHEMBL1824445) Show SMILES Cc1cccc(n1)-c1nn(CC(=O)Nc2cccc(c2)C(N)=O)cc1-c1ccc2nc(C)c(C)nc2c1 Show InChI InChI=1S/C28H25N7O2/c1-16-6-4-9-24(30-16)27-22(19-10-11-23-25(13-19)32-18(3)17(2)31-23)14-35(34-27)15-26(36)33-21-8-5-7-20(12-21)28(29)37/h4-14H,15H2,1-3H3,(H2,29,37)(H,33,36)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351812 (CHEMBL1824432) Show SMILES Cc1cccc(n1)-c1nn(CC(=O)Nc2cccc(c2)C#N)cc1-c1ccc2nccnc2c1 Show InChI InChI=1S/C26H19N7O/c1-17-4-2-7-23(30-17)26-21(19-8-9-22-24(13-19)29-11-10-28-22)15-33(32-26)16-25(34)31-20-6-3-5-18(12-20)14-27/h2-13,15H,16H2,1H3,(H,31,34)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351810 (CHEMBL1824226) Show SMILES Cc1cccc(n1)-c1nn(CC(=O)Nc2ccccc2)cc1-c1ccc2nccnc2c1 Show InChI InChI=1S/C25H20N6O/c1-17-6-5-9-22(28-17)25-20(18-10-11-21-23(14-18)27-13-12-26-21)15-31(30-25)16-24(32)29-19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,29,32)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50351811 (CHEMBL1824227) Show SMILES Cc1cccc(n1)-c1nn(CC(=O)Nc2ccccc2)cc1-c1ccc2nc(C)c(C)nc2c1 Show InChI InChI=1S/C27H24N6O/c1-17-8-7-11-24(28-17)27-22(20-12-13-23-25(14-20)30-19(3)18(2)29-23)15-33(32-27)16-26(34)31-21-9-5-4-6-10-21/h4-15H,16H2,1-3H3,(H,31,34)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay				Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM
					More data for this Ligand-Target Pair