Compile Data Set for Download or QSAR

Found 739 hits with Last Name = 'fukumoto' and Initial = 's'   

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
Protein kinase C theta type (Homo sapiens (Human))	BDBM50240305 (CHEMBL4082370) Show SMILES CCOc1ccnc2[nH]c(=O)n(-c3nc(ccc3Cl)N3CCCNCC3)c12 |(9.86,-25.53,;10.33,-24.06,;9.3,-22.92,;7.8,-23.24,;7.33,-24.7,;5.81,-25.02,;4.79,-23.88,;5.27,-22.42,;4.5,-21.09,;5.53,-19.94,;5.21,-18.44,;6.93,-20.57,;8.27,-19.8,;9.61,-20.57,;10.94,-19.8,;10.94,-18.25,;9.6,-17.48,;8.27,-18.26,;6.94,-17.49,;12.28,-20.56,;13.54,-19.7,;15.02,-20.15,;15.59,-21.57,;14.82,-22.91,;13.3,-23.15,;12.17,-22.1,;6.77,-22.1,)| Show InChI InChI=1S/C18H21ClN6O2/c1-2-27-13-6-8-21-16-15(13)25(18(26)23-16)17-12(19)4-5-14(22-17)24-10-3-7-20-9-11-24/h4-6,8,20H,2-3,7,9-11H2,1H3,(H,21,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0860	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...				Bioorg Med Chem Lett 27: 2497-2501 (2017) Article DOI: 10.1016/j.bmcl.2017.03.099 BindingDB Entry DOI: 10.7270/Q21G0PCZ
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50240307 (CHEMBL4065996) Show SMILES CC(C)(C)OC(=O)N1CCN(C(C1)c1ccccc1)c1ccc(c(n1)-n1c2cccnc2[nH]c1=O)[N+]([O-])=O |(37.81,-23.24,;36.48,-24.01,;36.47,-25.55,;37.8,-24.77,;35.15,-23.24,;33.81,-24,;33.81,-25.54,;32.48,-23.23,;32.48,-21.69,;31.14,-20.91,;29.82,-21.69,;29.81,-23.23,;31.14,-24,;28.49,-24,;27.15,-23.22,;25.82,-23.99,;25.81,-25.53,;27.16,-26.3,;28.48,-25.53,;28.48,-20.92,;28.48,-19.37,;27.14,-18.61,;25.81,-19.38,;25.81,-20.92,;27.15,-21.69,;24.48,-21.69,;24.32,-23.22,;25.34,-24.36,;24.87,-25.81,;23.36,-26.13,;22.34,-24.99,;22.82,-23.53,;22.05,-22.2,;23.08,-21.06,;22.76,-19.55,;25.03,-18.03,;25.81,-16.68,;23.47,-18.04,)| Show InChI InChI=1S/C26H27N7O5/c1-26(2,3)38-25(35)30-14-15-31(20(16-30)17-8-5-4-6-9-17)21-12-11-19(33(36)37)23(28-21)32-18-10-7-13-27-22(18)29-24(32)34/h4-13,20H,14-16H2,1-3H3,(H,27,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...				Bioorg Med Chem Lett 27: 2497-2501 (2017) Article DOI: 10.1016/j.bmcl.2017.03.099 BindingDB Entry DOI: 10.7270/Q21G0PCZ
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM50257340 (CHEMBL4072828) Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1cccc(NCc2nnc3-c4ccncc4OCCn23)c1 Show InChI InChI=1S/C25H21F3N6O2/c26-25(27,28)20-7-2-1-4-17(20)13-31-24(35)16-5-3-6-18(12-16)30-15-22-32-33-23-19-8-9-29-14-21(19)36-11-10-34(22)23/h1-9,12,14,30H,10-11,13,15H2,(H,31,35)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50166893 (2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...) Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@@H](C)O)cc1OC Show InChI InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of PDE2A (unknown origin)				J Med Chem 60: 7658-7676 (2017) Article DOI: 10.1021/acs.jmedchem.7b00709 BindingDB Entry DOI: 10.7270/Q2TT4TD5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein kinase C theta type (Homo sapiens (Human))	BDBM50240298 (CHEMBL4092652) Show SMILES CN1CCCCOc2ccnc3[nH]c(=O)n(-c4nc1ccc4Cl)c23 Show InChI InChI=1S/C16H16ClN5O2/c1-21-8-2-3-9-24-11-6-7-18-14-13(11)22(16(23)20-14)15-10(17)4-5-12(21)19-15/h4-7H,2-3,8-9H2,1H3,(H,18,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...				Bioorg Med Chem Lett 27: 2497-2501 (2017) Article DOI: 10.1016/j.bmcl.2017.03.099 BindingDB Entry DOI: 10.7270/Q21G0PCZ
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM107767 (US11419874, PF-05180999 | US8598155, 2) Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1 Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of PDE2A (unknown origin)				J Med Chem 60: 7658-7676 (2017) Article DOI: 10.1021/acs.jmedchem.7b00709 BindingDB Entry DOI: 10.7270/Q2TT4TD5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173313 (CHEMBL1738878) Show SMILES CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1 Show InChI InChI=1S/C24H23F2N7O/c1-2-11-33-22(31-32-23(33)21-9-10-27-15-30-21)14-28-17-6-3-5-16(12-17)24(34)29-13-18-19(25)7-4-8-20(18)26/h3-10,12,15,28H,2,11,13-14H2,1H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257447 (CHEMBL4073882) Show SMILES Fc1cccc(F)c1CNC(=O)c1cccc(NCc2nnc3-c4ccncc4OCCn23)c1 Show InChI InChI=1S/C24H20F2N6O2/c25-19-5-2-6-20(26)18(19)12-29-24(33)15-3-1-4-16(11-15)28-14-22-30-31-23-17-7-8-27-13-21(17)34-10-9-32(22)23/h1-8,11,13,28H,9-10,12,14H2,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged GRK2 expressed in baculovirus expression system using ulight topo2alpha as substrate preincubat...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM50257328 (CHEMBL4082775) Show SMILES O=C(NCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C22H20N6O/c29-22(25-14-16-5-2-1-3-6-16)18-7-4-8-19(13-18)24-15-20-26-21(28-27-20)17-9-11-23-12-10-17/h1-13,24H,14-15H2,(H,25,29)(H,26,27,28)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257340 (CHEMBL4072828) Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1cccc(NCc2nnc3-c4ccncc4OCCn23)c1 Show InChI InChI=1S/C25H21F3N6O2/c26-25(27,28)20-7-2-1-4-17(20)13-31-24(35)16-5-3-6-18(12-16)30-15-22-32-33-23-19-8-9-29-14-21(19)36-11-10-34(22)23/h1-9,12,14,30H,10-11,13,15H2,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257343 (CHEMBL4086046) Show SMILES CCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncn1 Show InChI InChI=1S/C25H24F3N7O/c1-2-12-35-22(33-34-23(35)21-10-11-29-16-32-21)15-30-19-8-5-7-17(13-19)24(36)31-14-18-6-3-4-9-20(18)25(26,27)28/h3-11,13,16,30H,2,12,14-15H2,1H3,(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452856 (CHEMBL4217811) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-[#8]-c2c1)-[#6](=O)-c1cc(-[#8])no1)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H25F2N3O6Si/c1-33-14-5-6-15-18(11-14)34-8-7-29(24(32)19-12-20(30)28-35-19)21(15)23(31)27-13-9-16(25)22(17(26)10-13)36(2,3)4/h5-6,9-12,21H,7-8H2,1-4H3,(H,27,31)(H,28,30)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452853 (CHEMBL4087736) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H30F2N2O5Si/c1-34-17-8-9-18-15(12-17)10-11-29(21(30)6-5-7-22(31)32)23(18)25(33)28-16-13-19(26)24(20(27)14-16)35(2,3)4/h8-9,12-14,23H,5-7,10-11H2,1-4H3,(H,28,33)(H,31,32)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257445 (CHEMBL4095659) Show SMILES COc1ccccc1CNC(=O)c1cccc(NCc2nnc([nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C23H22N6O2/c1-31-20-8-3-2-5-18(20)14-26-23(30)17-6-4-7-19(13-17)25-15-21-27-22(29-28-21)16-9-11-24-12-10-16/h2-13,25H,14-15H2,1H3,(H,26,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452850 (CHEMBL4203255) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H31F2N3O4Si/c1-34-17-8-9-18-15(12-17)10-11-30(22(32)7-5-6-21(28)31)23(18)25(33)29-16-13-19(26)24(20(27)14-16)35(2,3)4/h8-9,12-14,23H,5-7,10-11H2,1-4H3,(H2,28,31)(H,29,33)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM50257365 (CHEMBL4083276) Show SMILES CCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1 Show InChI InChI=1S/C24H24N6O/c1-2-30-22(28-29-23(30)19-11-13-25-14-12-19)17-26-21-10-6-9-20(15-21)24(31)27-16-18-7-4-3-5-8-18/h3-15,26H,2,16-17H2,1H3,(H,27,31)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452854 (CHEMBL4205112) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#8]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H28F2N2O6Si/c1-33-16-5-6-17-14(9-16)7-8-28(20(29)12-34-13-21(30)31)22(17)24(32)27-15-10-18(25)23(19(26)11-15)35(2,3)4/h5-6,9-11,22H,7-8,12-13H2,1-4H3,(H,27,32)(H,30,31)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452843 (CHEMBL4217478) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6](-[#6])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C26H32F2N2O5Si/c1-15(11-23(32)33)10-22(31)30-9-8-16-12-18(35-2)6-7-19(16)24(30)26(34)29-17-13-20(27)25(21(28)14-17)36(3,4)5/h6-7,12-15,24H,8-11H2,1-5H3,(H,29,34)(H,32,33)/t15?,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257426 (CHEMBL4077447) Show SMILES Clc1ccccc1CNC(=O)c1cccc(NCc2nnc([nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C22H19ClN6O/c23-19-7-2-1-4-17(19)13-26-22(30)16-5-3-6-18(12-16)25-14-20-27-21(29-28-20)15-8-10-24-11-9-15/h1-12,25H,13-14H2,(H,26,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged GRK2 expressed in baculovirus expression system using ulight topo2alpha as substrate preincubat...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452840 (CHEMBL4209940) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)\[#6]=[#6]\[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H26F2N2O5Si/c1-33-16-5-6-17-14(11-16)9-10-28(20(29)7-8-21(30)31)22(17)24(32)27-15-12-18(25)23(19(26)13-15)34(2,3)4/h5-8,11-13,22H,9-10H2,1-4H3,(H,27,32)(H,30,31)/b8-7+/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452846 (CHEMBL4205579) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H28F2N2O5Si/c1-33-16-5-6-17-14(11-16)9-10-28(20(29)7-8-21(30)31)22(17)24(32)27-15-12-18(25)23(19(26)13-15)34(2,3)4/h5-6,11-13,22H,7-10H2,1-4H3,(H,27,32)(H,30,31)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452848 (CHEMBL4213410) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6@@H](-[#7](-[#6])-[#6](=O)-c1cc(-[#8])no1)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C23H25F2N3O5Si/c1-28(23(31)18-12-19(29)27-33-18)20(13-6-8-15(32-2)9-7-13)22(30)26-14-10-16(24)21(17(25)11-14)34(3,4)5/h6-12,20H,1-5H3,(H,26,30)(H,27,29)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM50257344 (CHEMBL4065690) Show SMILES Cc1c(CNc2cccc(c2)C(=O)NCc2ccccc2)[nH]nc1-c1ccncc1 Show InChI InChI=1S/C24H23N5O/c1-17-22(28-29-23(17)19-10-12-25-13-11-19)16-26-21-9-5-8-20(14-21)24(30)27-15-18-6-3-2-4-7-18/h2-14,26H,15-16H2,1H3,(H,27,30)(H,28,29)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50005097 (7-(4-Fluoro-phenyl)-7-(3-formyl-6-hydroxy-2,4,5-tr...) Show SMILES Cc1c(C)c(C=O)c(C)c(C(CCCCCC(O)=O)c2ccc(F)cc2)c1O Show InChI InChI=1S/C23H27FO4/c1-14-15(2)23(28)22(16(3)20(14)13-25)19(7-5-4-6-8-21(26)27)17-9-11-18(24)12-10-17/h9-13,19,28H,4-8H2,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit specific binding of [3H]-U-46,619 to Thromboxane A2/ Prostaglandin H2 receptor in guinea pig platel...				J Med Chem 35: 2202-9 (1992) BindingDB Entry DOI: 10.7270/Q2JQ0ZZZ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452839 (CHEMBL4210540) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]C([#6])([#8])[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C26H32F2N2O6Si/c1-26(35,14-22(32)33)13-21(31)30-9-8-15-10-17(36-2)6-7-18(15)23(30)25(34)29-16-11-19(27)24(20(28)12-16)37(3,4)5/h6-7,10-12,23,35H,8-9,13-14H2,1-5H3,(H,29,34)(H,32,33)/t23-,26?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452847 (CHEMBL4206093) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-c1cc(-[#8])no1)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H25F2N3O5Si/c1-33-15-5-6-16-13(9-15)7-8-29(24(32)19-12-20(30)28-34-19)21(16)23(31)27-14-10-17(25)22(18(26)11-14)35(2,3)4/h5-6,9-12,21H,7-8H2,1-4H3,(H,27,31)(H,28,30)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM50257350 (CHEMBL1738877) Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1 Show InChI InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257330 (CHEMBL4071398) Show SMILES OCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1 Show InChI InChI=1S/C25H23F3N6O2/c26-25(27,28)21-7-2-1-4-19(21)15-31-24(36)18-5-3-6-20(14-18)30-16-22-32-33-23(34(22)12-13-35)17-8-10-29-11-9-17/h1-11,14,30,35H,12-13,15-16H2,(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged GRK2 expressed in baculovirus expression system using ulight topo2alpha as substrate preincubat...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452842 (CHEMBL4210727) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]C([#6])([#6])[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C27H34F2N2O5Si/c1-27(2,15-23(33)34)14-22(32)31-10-9-16-11-18(36-3)7-8-19(16)24(31)26(35)30-17-12-20(28)25(21(29)13-17)37(4,5)6/h7-8,11-13,24H,9-10,14-15H2,1-6H3,(H,30,35)(H,33,34)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257328 (CHEMBL4082775) Show SMILES O=C(NCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C22H20N6O/c29-22(25-14-16-5-2-1-3-6-16)18-7-4-8-19(13-18)24-15-20-26-21(28-27-20)17-9-11-23-12-10-17/h1-13,24H,14-15H2,(H,25,29)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452847 (CHEMBL4206093) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-c1cc(-[#8])no1)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H25F2N3O5Si/c1-33-15-5-6-16-13(9-15)7-8-29(24(32)19-12-20(30)28-34-19)21(16)23(31)27-14-10-17(25)22(18(26)11-14)35(2,3)4/h5-6,9-12,21H,7-8H2,1-4H3,(H,27,31)(H,28,30)/t21-/m1/s1	PDB UniProtKB/SwissProt 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50240297 (CHEMBL4100381) Show SMILES O=c1[nH]c2ncccc2n1-c1nc(ccc1C#N)N1CCNCC1c1ccccc1 |(4.05,-5.21,;4.37,-6.72,;3.34,-7.86,;4.11,-9.19,;3.63,-10.65,;4.66,-11.8,;6.17,-11.47,;6.64,-10.01,;5.61,-8.88,;5.78,-7.34,;7.11,-6.57,;8.45,-7.34,;9.79,-6.57,;9.78,-5.02,;8.45,-4.26,;7.12,-5.03,;5.78,-4.25,;4.44,-3.48,;11.12,-7.34,;12.45,-6.56,;13.78,-7.34,;13.78,-8.88,;12.45,-9.65,;11.12,-8.88,;9.79,-9.65,;8.46,-8.87,;7.12,-9.64,;7.12,-11.18,;8.46,-11.95,;9.79,-11.18,)| Show InChI InChI=1S/C22H19N7O/c23-13-16-8-9-19(28-12-11-24-14-18(28)15-5-2-1-3-6-15)26-21(16)29-17-7-4-10-25-20(17)27-22(29)30/h1-10,18,24H,11-12,14H2,(H,25,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...				Bioorg Med Chem Lett 27: 2497-2501 (2017) Article DOI: 10.1016/j.bmcl.2017.03.099 BindingDB Entry DOI: 10.7270/Q21G0PCZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50376111 (CHEMBL258618) Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC2CC2)n(C)n1 Show InChI InChI=1S/C27H25ClN4O3/c1-3-23(33)25-24(16-7-5-4-6-8-16)21-13-17(28)9-12-20(21)27(35)32(25)15-19-14-22(31(2)30-19)26(34)29-18-10-11-18/h4-9,12-14,18H,3,10-11,15H2,1-2H3,(H,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human JNK1 by radiometric assay				Bioorg Med Chem 16: 4699-714 (2008) Article DOI: 10.1016/j.bmc.2008.02.028 BindingDB Entry DOI: 10.7270/Q2NP2598
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452844 (CHEMBL4214337) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C26H32F2N2O5Si/c1-35-18-9-10-19-16(13-18)11-12-30(22(31)7-5-6-8-23(32)33)24(19)26(34)29-17-14-20(27)25(21(28)15-17)36(2,3)4/h9-10,13-15,24H,5-8,11-12H2,1-4H3,(H,29,34)(H,32,33)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50240303 (CHEMBL4093591) Show SMILES CN1CCCOc2ccnc3[nH]c(=O)n(-c4nc1ccc4Cl)c23 Show InChI InChI=1S/C15H14ClN5O2/c1-20-7-2-8-23-10-5-6-17-13-12(10)21(15(22)19-13)14-9(16)3-4-11(20)18-14/h3-6H,2,7-8H2,1H3,(H,17,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...				Bioorg Med Chem Lett 27: 2497-2501 (2017) Article DOI: 10.1016/j.bmcl.2017.03.099 BindingDB Entry DOI: 10.7270/Q21G0PCZ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452850 (CHEMBL4203255) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H31F2N3O4Si/c1-34-17-8-9-18-15(12-17)10-11-30(22(32)7-5-6-21(28)31)23(18)25(33)29-16-13-19(26)24(20(27)14-16)35(2,3)4/h8-9,12-14,23H,5-7,10-11H2,1-4H3,(H2,28,31)(H,29,33)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257342 (CHEMBL4103972) Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1 Show InChI InChI=1S/C22H19F2N7O/c1-31-20(29-30-21(31)19-8-9-25-13-28-19)12-26-15-5-2-4-14(10-15)22(32)27-11-16-17(23)6-3-7-18(16)24/h2-10,13,26H,11-12H2,1H3,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged GRK2 expressed in baculovirus expression system using ulight topo2alpha as substrate preincubat...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50376119 (CHEMBL259484) Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cn(C(=O)NC)c(C)n1 Show InChI InChI=1S/C25H23ClN4O3/c1-4-21(31)23-22(16-8-6-5-7-9-16)20-12-17(26)10-11-19(20)24(32)30(23)14-18-13-29(15(2)28-18)25(33)27-3/h5-13H,4,14H2,1-3H3,(H,27,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human JNK1 by radiometric assay				Bioorg Med Chem 16: 4699-714 (2008) Article DOI: 10.1016/j.bmc.2008.02.028 BindingDB Entry DOI: 10.7270/Q2NP2598
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50257503 (CHEMBL4067877) Show SMILES O=C(NCc1ccccc1)c1cccc(NCc2nc(c[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C23H21N5O/c29-23(27-14-17-5-2-1-3-6-17)19-7-4-8-20(13-19)25-16-22-26-15-21(28-22)18-9-11-24-12-10-18/h1-13,15,25H,14,16H2,(H,26,28)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50376115 (CHEMBL437107) Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(N)=O)n(C)n1 Show InChI InChI=1S/C24H21ClN4O3/c1-3-20(30)22-21(14-7-5-4-6-8-14)18-11-15(25)9-10-17(18)24(32)29(22)13-16-12-19(23(26)31)28(2)27-16/h4-12H,3,13H2,1-2H3,(H2,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human JNK1 by radiometric assay				Bioorg Med Chem 16: 4699-714 (2008) Article DOI: 10.1016/j.bmc.2008.02.028 BindingDB Entry DOI: 10.7270/Q2NP2598
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257365 (CHEMBL4083276) Show SMILES CCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1 Show InChI InChI=1S/C24H24N6O/c1-2-30-22(28-29-23(30)19-11-13-25-14-12-19)17-26-21-10-6-9-20(15-21)24(31)27-16-18-7-4-3-5-8-18/h3-15,26H,2,16-17H2,1H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452852 (CHEMBL4210449) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6@@H](-[#7](-[#6])-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C23H28F2N2O5Si/c1-27(19(28)10-11-20(29)30)21(14-6-8-16(32-2)9-7-14)23(31)26-15-12-17(24)22(18(25)13-15)33(3,4)5/h6-9,12-13,21H,10-11H2,1-5H3,(H,26,31)(H,29,30)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452841 (CHEMBL4205062) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-1-[#16]-[#6](=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H27F2N3O5SSi/c1-35-15-5-6-16-13(9-15)7-8-30(20(31)12-19-23(32)29-25(34)36-19)21(16)24(33)28-14-10-17(26)22(18(27)11-14)37(2,3)4/h5-6,9-11,19,21H,7-8,12H2,1-4H3,(H,28,33)(H,29,32,34)/t19?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50376123 (CHEMBL260064) Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(C)=O)n1)S(C)(=O)=O Show InChI InChI=1S/C26H24ClN3O5S/c1-4-22(32)25-24(17-8-6-5-7-9-17)21-12-18(27)10-11-20(21)26(33)29(25)15-19-13-23(36(3,34)35)30(28-19)14-16(2)31/h5-13H,4,14-15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human JNK1 by radiometric assay				Bioorg Med Chem 16: 4699-714 (2008) Article DOI: 10.1016/j.bmc.2008.02.028 BindingDB Entry DOI: 10.7270/Q2NP2598
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452849 (CHEMBL4213861) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#7](-[#6])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H31F2N3O5Si/c1-29(14-22(32)33)13-21(31)30-9-8-15-10-17(35-2)6-7-18(15)23(30)25(34)28-16-11-19(26)24(20(27)12-16)36(3,4)5/h6-7,10-12,23H,8-9,13-14H2,1-5H3,(H,28,34)(H,32,33)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257341 (CHEMBL4094447) Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncn1 Show InChI InChI=1S/C23H20F3N7O/c1-33-20(31-32-21(33)19-9-10-27-14-30-19)13-28-17-7-4-6-15(11-17)22(34)29-12-16-5-2-3-8-18(16)23(24,25)26/h2-11,14,28H,12-13H2,1H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50376122 (CHEMBL260065) Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(N)=O)n1)S(C)(=O)=O Show InChI InChI=1S/C25H23ClN4O5S/c1-3-20(31)24-23(15-7-5-4-6-8-15)19-11-16(26)9-10-18(19)25(33)29(24)13-17-12-22(36(2,34)35)30(28-17)14-21(27)32/h4-12H,3,13-14H2,1-2H3,(H2,27,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human JNK1 by radiometric assay				Bioorg Med Chem 16: 4699-714 (2008) Article DOI: 10.1016/j.bmc.2008.02.028 BindingDB Entry DOI: 10.7270/Q2NP2598
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50024849 (CHEMBL3337825) Show SMILES Cc1nn(CCCC(F)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H19F4N3O2/c1-13-20(15-5-8-18-17(11-15)27-19(30)12-31-18)21(14-3-6-16(23)7-4-14)29(28-13)10-2-9-22(24,25)26/h3-8,11H,2,9-10,12H2,1H3,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting				Bioorg Med Chem 22: 5428-45 (2014) Article DOI: 10.1016/j.bmc.2014.07.038 BindingDB Entry DOI: 10.7270/Q218383G
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50376118 (CHEMBL258705) Show SMILES CCNC(=O)n1ccc(Cn2c(C(=O)CC)c(-c3ccccc3)c3cc(Cl)ccc3c2=O)n1 Show InChI InChI=1S/C25H23ClN4O3/c1-3-21(31)23-22(16-8-6-5-7-9-16)20-14-17(26)10-11-19(20)24(32)29(23)15-18-12-13-30(28-18)25(33)27-4-2/h5-14H,3-4,15H2,1-2H3,(H,27,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human JNK1 by radiometric assay				Bioorg Med Chem 16: 4699-714 (2008) Article DOI: 10.1016/j.bmc.2008.02.028 BindingDB Entry DOI: 10.7270/Q2NP2598
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50376114 (CHEMBL259720) Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC)n(C)n1 Show InChI InChI=1S/C25H23ClN4O3/c1-4-21(31)23-22(15-8-6-5-7-9-15)19-12-16(26)10-11-18(19)25(33)30(23)14-17-13-20(24(32)27-2)29(3)28-17/h5-13H,4,14H2,1-3H3,(H,27,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human JNK1 by radiometric assay				Bioorg Med Chem 16: 4699-714 (2008) Article DOI: 10.1016/j.bmc.2008.02.028 BindingDB Entry DOI: 10.7270/Q2NP2598
					More data for this Ligand-Target Pair

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