Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50010169   

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))	BDBM172452 (US9090625, 4 | US9260450, 4 | US9938289, 4) Show SMILES CCc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1 Show InChI InChI=1S/C18H16N4S/c1-3-13-11-20-22(17-6-4-5-12(2)21-17)18(13)16-9-14-10-19-8-7-15(14)23-16/h4-11H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of ALK5 (unknown origin)				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM311398 (US10155763, Example 6) Show SMILES Cc1cccc(n1)-c1nc2NCCn2c1-c1cc2cnccc2s1 Show InChI InChI=1S/C18H15N5S/c1-11-3-2-4-13(21-11)16-17(23-8-7-20-18(23)22-16)15-9-12-10-19-6-5-14(12)24-15/h2-6,9-10H,7-8H2,1H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of ALK5 (unknown origin)				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50535746 (CHEMBL4519261) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(F)c2)nc1-c1ccc2nsnc2c1 Show InChI InChI=1S/C22H17FN6S/c1-13-4-2-7-18(25-13)22-21(14-8-9-17-19(10-14)29-30-28-17)26-20(27-22)12-24-16-6-3-5-15(23)11-16/h2-11,24H,12H2,1H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50535750 (CHEMBL4588407) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(F)cc2)nc1-c1ccc2nsnc2c1 Show InChI InChI=1S/C22H17FN6S/c1-13-3-2-4-18(25-13)22-21(14-5-10-17-19(11-14)29-30-28-17)26-20(27-22)12-24-16-8-6-15(23)7-9-16/h2-11,24H,12H2,1H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50535747 (CHEMBL4453060) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2nsnc2c1 Show InChI InChI=1S/C22H17FN6S/c1-13-5-4-8-18(25-13)22-21(14-9-10-17-19(11-14)29-30-28-17)26-20(27-22)12-24-16-7-3-2-6-15(16)23/h2-11,24H,12H2,1H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50535751 (CHEMBL4574187) Show SMILES Cc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3nsnc3c2)c1 Show InChI InChI=1S/C23H20N6S/c1-14-5-3-7-17(11-14)24-13-21-26-22(16-9-10-18-20(12-16)29-30-28-18)23(27-21)19-8-4-6-15(2)25-19/h3-12,24H,13H2,1-2H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50535748 (CHEMBL4474911) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2C)nc1-c1cc2cnccc2s1 Show InChI InChI=1S/C24H21N5S/c1-15-6-3-4-8-18(15)26-14-22-28-23(19-9-5-7-16(2)27-19)24(29-22)21-12-17-13-25-11-10-20(17)30-21/h3-13,26H,14H2,1-2H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015639 (CHEMBL3260567 | USRE47141, Example 2) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1 Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50535749 (CHEMBL4464656) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2)nc1-c1ccc2nsnc2c1 Show InChI InChI=1S/C22H18N6S/c1-14-6-5-9-18(24-14)22-21(15-10-11-17-19(12-15)28-29-27-17)25-20(26-22)13-23-16-7-3-2-4-8-16/h2-12,23H,13H2,1H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50535745 (CHEMBL4576341) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(F)c2)nc1-c1cc2cnccc2s1 Show InChI InChI=1S/C23H18FN5S/c1-14-4-2-7-18(27-14)22-23(20-10-15-12-25-9-8-19(15)30-20)29-21(28-22)13-26-17-6-3-5-16(24)11-17/h2-12,26H,13H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50535754 (CHEMBL4543738) Show SMILES Cc1cccc(NCc2nc(-c3cc4cnccc4s3)c([nH]2)-c2cccc(C)n2)c1 Show InChI InChI=1S/C24H21N5S/c1-15-5-3-7-18(11-15)26-14-22-28-23(19-8-4-6-16(2)27-19)24(29-22)21-12-17-13-25-10-9-20(17)30-21/h3-13,26H,14H2,1-2H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50535756 (CHEMBL4534375) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2C)nc1-c1ccc2nsnc2c1 Show InChI InChI=1S/C23H20N6S/c1-14-6-3-4-8-17(14)24-13-21-26-22(16-10-11-18-20(12-16)29-30-28-18)23(27-21)19-9-5-7-15(2)25-19/h3-12,24H,13H2,1-2H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50535757 (CHEMBL4553389) Show SMILES Cc1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3nsnc3c2)cc1 Show InChI InChI=1S/C23H20N6S/c1-14-6-9-17(10-7-14)24-13-21-26-22(16-8-11-18-20(12-16)29-30-28-18)23(27-21)19-5-3-4-15(2)25-19/h3-12,24H,13H2,1-2H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50535753 (CHEMBL4516224) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1cc2cnccc2s1 Show InChI InChI=1S/C23H18FN5S/c1-14-5-4-8-18(27-14)22-23(20-11-15-12-25-10-9-19(15)30-20)29-21(28-22)13-26-17-7-3-2-6-16(17)24/h2-12,26H,13H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50535752 (CHEMBL4447399) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2)nc1-c1cc2cnccc2s1 Show InChI InChI=1S/C23H19N5S/c1-15-6-5-9-18(26-15)22-23(20-12-16-13-24-11-10-19(16)29-20)28-21(27-22)14-25-17-7-3-2-4-8-17/h2-13,25H,14H2,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50535758 (CHEMBL4533727) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(F)cc2)nc1-c1cc2cnccc2s1 Show InChI InChI=1S/C23H18FN5S/c1-14-3-2-4-18(27-14)22-23(20-11-15-12-25-10-9-19(15)30-20)29-21(28-22)13-26-17-7-5-16(24)6-8-17/h2-12,26H,13H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50535755 (CHEMBL4519255) Show SMILES Cc1ccc(NCc2nc(-c3cc4cnccc4s3)c([nH]2)-c2cccc(C)n2)cc1 Show InChI InChI=1S/C24H21N5S/c1-15-6-8-18(9-7-15)26-14-22-28-23(19-5-3-4-16(2)27-19)24(29-22)21-12-17-13-25-11-10-20(17)30-21/h3-13,26H,14H2,1-2H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					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 UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of GST-tagged ALK5 kinase domain (unknown origin) using GST-tagged SMAD3 as substrate in presence of [33P] gammaATP by liquid scintillatio...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015640 (GALUNISERTIB | LY-2157299) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O |(13.61,.14,;12.84,-1.19,;13.61,-2.53,;12.84,-3.86,;11.3,-3.86,;10.53,-2.53,;11.3,-1.19,;8.99,-2.53,;8.08,-1.28,;6.62,-1.76,;5.15,-1.28,;4.25,-2.53,;5.15,-3.77,;6.62,-3.3,;8.08,-3.77,;8.56,-5.24,;10.06,-5.56,;10.54,-7.02,;9.51,-8.17,;8,-7.85,;6.97,-8.99,;5.47,-8.67,;4.99,-7.21,;6.02,-6.06,;7.53,-6.38,;3.48,-6.89,;3.01,-5.42,;2.45,-8.03,)| Show InChI InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50535746 (CHEMBL4519261) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(F)c2)nc1-c1ccc2nsnc2c1 Show InChI InChI=1S/C22H17FN6S/c1-13-4-2-7-18(25-13)22-21(14-8-9-17-19(10-14)29-30-28-17)26-20(27-22)12-24-16-6-3-5-15(23)11-16/h2-11,24H,12H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50015640 (GALUNISERTIB | LY-2157299) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O |(13.61,.14,;12.84,-1.19,;13.61,-2.53,;12.84,-3.86,;11.3,-3.86,;10.53,-2.53,;11.3,-1.19,;8.99,-2.53,;8.08,-1.28,;6.62,-1.76,;5.15,-1.28,;4.25,-2.53,;5.15,-3.77,;6.62,-3.3,;8.08,-3.77,;8.56,-5.24,;10.06,-5.56,;10.54,-7.02,;9.51,-8.17,;8,-7.85,;6.97,-8.99,;5.47,-8.67,;4.99,-7.21,;6.02,-6.06,;7.53,-6.38,;3.48,-6.89,;3.01,-5.42,;2.45,-8.03,)| Show InChI InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	493	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50535751 (CHEMBL4574187) Show SMILES Cc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3nsnc3c2)c1 Show InChI InChI=1S/C23H20N6S/c1-14-5-3-7-17(11-14)24-13-21-26-22(16-9-10-18-20(12-16)29-30-28-18)23(27-21)19-8-4-6-15(2)25-19/h3-12,24H,13H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50535749 (CHEMBL4464656) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2)nc1-c1ccc2nsnc2c1 Show InChI InChI=1S/C22H18N6S/c1-14-6-5-9-18(24-14)22-21(15-10-11-17-19(12-15)28-29-27-17)25-20(26-22)13-23-16-7-3-2-4-8-16/h2-12,23H,13H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	763	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50535750 (CHEMBL4588407) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(F)cc2)nc1-c1ccc2nsnc2c1 Show InChI InChI=1S/C22H17FN6S/c1-13-3-2-4-18(25-13)22-21(14-5-10-17-19(11-14)29-30-28-17)26-20(27-22)12-24-16-8-6-15(23)7-9-16/h2-11,24H,12H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	831	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50535756 (CHEMBL4534375) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2C)nc1-c1ccc2nsnc2c1 Show InChI InChI=1S/C23H20N6S/c1-14-6-3-4-8-17(14)24-13-21-26-22(16-10-11-18-20(12-16)29-30-28-18)23(27-21)19-9-5-7-15(2)25-19/h3-12,24H,13H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	899	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50535747 (CHEMBL4453060) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2nsnc2c1 Show InChI InChI=1S/C22H17FN6S/c1-13-5-4-8-18(25-13)22-21(14-9-10-17-19(11-14)29-30-28-17)26-20(27-22)12-24-16-7-3-2-6-15(16)23/h2-11,24H,12H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50535745 (CHEMBL4576341) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(F)c2)nc1-c1cc2cnccc2s1 Show InChI InChI=1S/C23H18FN5S/c1-14-4-2-7-18(27-14)22-23(20-10-15-12-25-9-8-19(15)30-20)29-21(28-22)13-26-17-6-3-5-16(24)11-17/h2-12,26H,13H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50535754 (CHEMBL4543738) Show SMILES Cc1cccc(NCc2nc(-c3cc4cnccc4s3)c([nH]2)-c2cccc(C)n2)c1 Show InChI InChI=1S/C24H21N5S/c1-15-5-3-7-18(11-15)26-14-22-28-23(19-8-4-6-16(2)27-19)24(29-22)21-12-17-13-25-10-9-20(17)30-21/h3-13,26H,14H2,1-2H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50535748 (CHEMBL4474911) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2C)nc1-c1cc2cnccc2s1 Show InChI InChI=1S/C24H21N5S/c1-15-6-3-4-8-18(15)26-14-22-28-23(19-9-5-7-16(2)27-19)24(29-22)21-12-17-13-25-11-10-20(17)30-21/h3-13,26H,14H2,1-2H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50015639 (CHEMBL3260567 | USRE47141, Example 2) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1 Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50535752 (CHEMBL4447399) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2)nc1-c1cc2cnccc2s1 Show InChI InChI=1S/C23H19N5S/c1-15-6-5-9-18(26-15)22-23(20-12-16-13-24-11-10-19(16)29-20)28-21(27-22)14-25-17-7-3-2-4-8-17/h2-13,25H,14H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50535758 (CHEMBL4533727) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(F)cc2)nc1-c1cc2cnccc2s1 Show InChI InChI=1S/C23H18FN5S/c1-14-3-2-4-18(27-14)22-23(20-11-15-12-25-10-9-19(15)30-20)29-21(28-22)13-26-17-7-5-16(24)6-8-17/h2-12,26H,13H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50535753 (CHEMBL4516224) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1cc2cnccc2s1 Show InChI InChI=1S/C23H18FN5S/c1-14-5-4-8-18(27-14)22-23(20-11-15-12-25-10-9-19(15)30-20)29-21(28-22)13-26-17-7-3-2-6-16(17)24/h2-12,26H,13H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50535757 (CHEMBL4553389) Show SMILES Cc1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3nsnc3c2)cc1 Show InChI InChI=1S/C23H20N6S/c1-14-6-9-17(10-7-14)24-13-21-26-22(16-8-11-18-20(12-16)29-30-28-18)23(27-21)19-5-3-4-15(2)25-19/h3-12,24H,13H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50535755 (CHEMBL4519255) Show SMILES Cc1ccc(NCc2nc(-c3cc4cnccc4s3)c([nH]2)-c2cccc(C)n2)cc1 Show InChI InChI=1S/C24H21N5S/c1-15-6-8-18(9-7-15)26-14-22-28-23(19-5-3-4-16(2)27-19)24(29-22)21-12-17-13-25-11-10-20(17)30-21/h3-13,26H,14H2,1-2H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-AT...				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 BindingDB Entry DOI: 10.7270/Q20868TQ
					More data for this Ligand-Target Pair