Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'yoshitomi' and Initial = 'y'   

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
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
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50260529 (CHEMBL4077626) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C83H121N21O20S/c1-10-44(6)67(102-76(118)62(38-65(109)110)99-79(121)68(45(7)106)103-75(117)59(35-47-25-27-50(108)28-26-47)96-74(116)61(37-49-40-91-54-21-14-12-19-52(49)54)97-72(114)58(34-42(2)3)92-46(8)107)78(120)95-55(22-15-30-88-82(84)85)69(111)94-57(29-33-125-9)70(112)100-63(41-105)77(119)98-60(36-48-39-90-53-20-13-11-18-51(48)53)73(115)93-56(23-16-31-89-83(86)87)71(113)101-66(43(4)5)80(122)104-32-17-24-64(104)81(123)124/h11-14,18-21,25-28,39-40,42-45,55-64,66-68,90-91,105-106,108H,10,15-17,22-24,29-38,41H2,1-9H3,(H,92,107)(H,93,115)(H,94,111)(H,95,120)(H,96,116)(H,97,114)(H,98,119)(H,99,121)(H,100,112)(H,101,113)(H,102,118)(H,103,117)(H,109,110)(H,123,124)(H4,84,85,88)(H4,86,87,89)/t44-,45+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1	PDB UniProtKB/SwissProt 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of C-terminal biotin-labelled BCoR (Arg498 to 514Pro residues) binding to recombinant FLAG-tagged BCL6 BTB (5 to 129 residues) (unknown or...				Bioorg Med Chem 25: 4876-4886 (2017) Article DOI: 10.1016/j.bmc.2017.07.037 BindingDB Entry DOI: 10.7270/Q2G44SR7
					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
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
Protein kinase C theta type (Homo sapiens (Human))	BDBM50240304 (CHEMBL4099368) Show SMILES Clc1ccc2OCCCCOc3ccnc4[nH]c(=O)n(-c1n2)c34 Show InChI InChI=1S/C15H13ClN4O3/c16-9-3-4-11-18-14(9)20-12-10(22-7-1-2-8-23-11)5-6-17-13(12)19-15(20)21/h3-6H,1-2,7-8H2,(H,17,19,21)	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	14	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))	BDBM50240301 (CHEMBL4074629) Show SMILES Clc1ccc(nc1-n1c2cccnc2[nH]c1=O)N1CCCNCC1 |(7.24,-4.14,;8.58,-4.91,;9.91,-4.14,;11.24,-4.9,;11.25,-6.45,;9.91,-7.22,;8.57,-6.45,;7.24,-7.22,;7.09,-8.75,;8.11,-9.89,;7.63,-11.34,;6.12,-11.66,;5.1,-10.52,;5.58,-9.06,;4.81,-7.74,;5.84,-6.59,;5.53,-5.09,;12.58,-7.22,;12.46,-8.76,;13.6,-9.8,;15.12,-9.56,;15.89,-8.23,;15.32,-6.8,;13.84,-6.35,)| Show InChI InChI=1S/C16H17ClN6O/c17-11-4-5-13(22-9-2-6-18-8-10-22)20-15(11)23-12-3-1-7-19-14(12)21-16(23)24/h1,3-5,7,18H,2,6,8-10H2,(H,19,21,24)	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	18	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))	BDBM50240302 (CHEMBL4101327) Show SMILES COc1ccnc2[nH]c(=O)n(-c3nc(ccc3Cl)N3CCNC(C3)c3ccccc3)c12 |(10.07,-36.43,;9.04,-35.28,;7.54,-35.6,;7.06,-37.06,;5.55,-37.38,;4.53,-36.23,;5.01,-34.77,;4.24,-33.45,;5.27,-32.3,;4.95,-30.79,;6.67,-32.93,;8.01,-32.16,;9.34,-32.93,;10.68,-32.16,;10.67,-30.61,;9.34,-29.84,;8.01,-30.62,;6.67,-29.85,;12.02,-32.93,;13.34,-32.15,;14.68,-32.93,;14.68,-34.47,;13.34,-35.24,;12.01,-34.47,;13.34,-36.77,;12,-37.54,;12,-39.08,;13.33,-39.86,;14.67,-39.08,;14.67,-37.54,;6.52,-34.46,)| Show InChI InChI=1S/C22H21ClN6O2/c1-31-17-9-10-25-20-19(17)29(22(30)27-20)21-15(23)7-8-18(26-21)28-12-11-24-16(13-28)14-5-3-2-4-6-14/h2-10,16,24H,11-13H2,1H3,(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	33	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))	BDBM50240299 (CHEMBL4071874) Show SMILES Fc1ccc(nc1-n1c2cccnc2[nH]c1=O)N1CCCNCC1 |(26.29,-15.27,;27.62,-16.04,;28.95,-15.27,;30.29,-16.03,;30.29,-17.58,;28.96,-18.35,;27.62,-17.58,;26.29,-18.35,;26.13,-19.88,;27.15,-21.02,;26.68,-22.47,;25.17,-22.79,;24.15,-21.65,;24.63,-20.19,;23.86,-18.87,;24.89,-17.72,;24.57,-16.22,;31.63,-18.35,;31.51,-19.89,;32.65,-20.93,;34.17,-20.69,;34.94,-19.36,;34.36,-17.93,;32.89,-17.48,)| Show InChI InChI=1S/C16H17FN6O/c17-11-4-5-13(22-9-2-6-18-8-10-22)20-15(11)23-12-3-1-7-19-14(12)21-16(23)24/h1,3-5,7,18H,2,6,8-10H2,(H,19,21,24)	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	100	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))	BDBM50240300 (CHEMBL4063243) Show SMILES CC(C)CC1CCCN1c1ccc(F)c(n1)-n1c2cccnc2[nH]c1=O |(49.12,-23.7,;50.26,-22.67,;51.73,-23.14,;49.94,-21.17,;51.08,-20.13,;52.59,-20.45,;53.36,-19.12,;52.32,-17.97,;50.92,-18.61,;49.58,-17.84,;49.58,-16.29,;48.24,-15.52,;46.91,-16.29,;45.58,-15.52,;46.91,-17.84,;48.25,-18.61,;45.58,-18.61,;45.42,-20.14,;46.44,-21.27,;45.97,-22.73,;44.46,-23.05,;43.44,-21.9,;43.92,-20.45,;43.15,-19.12,;44.18,-17.98,;43.86,-16.47,)| Show InChI InChI=1S/C19H22FN5O/c1-12(2)11-13-5-4-10-24(13)16-8-7-14(20)18(22-16)25-15-6-3-9-21-17(15)23-19(25)26/h3,6-9,12-13H,4-5,10-11H2,1-2H3,(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	250	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
Dynein light chain 2, cytoplasmic (Human)	BDBM528572 (US11192893, Example 12) Show SMILES Clc1ccc(cc1)C1(CC1)c1nn2c([nH]c3ccc(Br)cc3c2=O)c1C#N Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested employing a microtubule gliding assay, a standard biochemical assay for motor proteins. The first set of studies focused on hum...				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6G18
					More data for this Ligand-Target Pair
Dynein light chain 2, cytoplasmic (Human)	BDBM528573 (US11192893, Example 27) Show SMILES Clc1ccc(cc1)C1CCC(CC1)c1nn2c([nH]c3ccccc3c2=O)c1C#N |(9.24,.55,;7.7,.55,;6.93,-.79,;5.39,-.79,;4.62,.55,;5.39,1.88,;6.93,1.88,;3.08,.55,;2.31,-.79,;.77,-.79,;0,.55,;.77,1.88,;2.31,1.88,;-1.54,.55,;-2.44,1.79,;-3.91,1.32,;-3.91,-.22,;-5.24,-.99,;-6.57,-.22,;-7.91,-.99,;-9.24,-.22,;-9.24,1.32,;-7.91,2.09,;-6.57,1.32,;-5.24,2.09,;-5.24,3.63,;-2.44,-.7,;-1.97,-2.16,;-1.49,-3.63,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested employing a microtubule gliding assay, a standard biochemical assay for motor proteins. The first set of studies focused on hum...				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6G18
					More data for this Ligand-Target Pair
Dynein light chain 2, cytoplasmic (Human)	BDBM528576 (US11192893, Example 31) Show SMILES Clc1ccc(cc1)C1(CC1)c1nn2c([nH]c3ccccc3c2=O)c1C#N Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested employing a microtubule gliding assay, a standard biochemical assay for motor proteins. The first set of studies focused on hum...				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6G18
					More data for this Ligand-Target Pair
Dynein light chain 2, cytoplasmic (Human)	BDBM528579 (US11192893, Example 29) Show SMILES Clc1ccc(OCCCc2nn3c([nH]c4ccccc4c3=O)c2C#N)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested employing a microtubule gliding assay, a standard biochemical assay for motor proteins. The first set of studies focused on hum...				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6G18
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50240306 (CHEMBL4084895) Show SMILES OC(C1CC1)C1CCCN(C1)c1ccc(F)c(n1)-n1c2cccnc2[nH]c1=O |(32.7,-41.52,;31.37,-40.75,;30.03,-41.51,;28.49,-41.52,;29.26,-42.85,;31.37,-39.21,;32.71,-38.44,;32.71,-36.9,;31.37,-36.12,;30.05,-36.89,;30.04,-38.44,;28.71,-36.12,;28.71,-34.57,;27.37,-33.81,;26.04,-34.58,;24.71,-33.81,;26.04,-36.12,;27.38,-36.89,;24.71,-36.89,;24.55,-38.42,;25.57,-39.56,;25.1,-41.01,;23.59,-41.33,;22.57,-40.19,;23.05,-38.73,;22.28,-37.41,;23.31,-36.26,;22.99,-34.76,)| Show InChI InChI=1S/C20H22FN5O2/c21-14-7-8-16(25-10-2-3-13(11-25)17(27)12-5-6-12)23-19(14)26-15-4-1-9-22-18(15)24-20(26)28/h1,4,7-9,12-13,17,27H,2-3,5-6,10-11H2,(H,22,24,28)	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	>1.00E+3	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
Dynein light chain 2, cytoplasmic (Human)	BDBM528571 (US11192893, Example 5) Show SMILES Clc1ccc(cc1)C1(CC1)c1nn2c([nH]c(=O)c3cc(I)ccc23)c1C#N Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested employing a microtubule gliding assay, a standard biochemical assay for motor proteins. The first set of studies focused on hum...				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6G18
					More data for this Ligand-Target Pair
Dynein light chain 2, cytoplasmic (Human)	BDBM528570 (US11192893, Example 4) Show SMILES FC(F)(F)c1ccc2c(c1)c(=O)[nH]c1c(C#N)c(nn21)C1(CC1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested employing a microtubule gliding assay, a standard biochemical assay for motor proteins. The first set of studies focused on hum...				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6G18
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50561244 (CHEMBL4794409) Show SMILES COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N1CCC(COc2cc(ccn2)[C@@H](CC(O)=O)C2CC2)CC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
TBA					Assay Description Inhibition of human ERG				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50260534 (CHEMBL4066375) Show SMILES OC(=O)CC(N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Br)cc12)C(O)=O Show InChI InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of C-terminal biotin-labelled BCoR/wild-type BCL6 BTB domain (unknown origin) protein-protein interaction by ELISA				Bioorg Med Chem 25: 4876-4886 (2017) Article DOI: 10.1016/j.bmc.2017.07.037 BindingDB Entry DOI: 10.7270/Q2G44SR7
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561243 (CHEMBL4792979) Show SMILES COc1ccc(CCCC(C)(C)C)c(c1)N1CC(COc2cccc(c2)C(CC(O)=O)C2CC2)C1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561242 (CHEMBL4748702) Show SMILES COc1ccc(CCCC(C)(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561245 (CHEMBL4757231) Show SMILES COc1ccc(F)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561246 (CHEMBL4784293) Show SMILES COc1ccc(C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561247 (CHEMBL4760668) Show SMILES COc1ccc(C(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561248 (CHEMBL4764150) Show SMILES COc1ccc(CCC(C)(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561249 (CHEMBL4755717) Show SMILES COc1ccc(CCC(C)(C)O)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	970	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561250 (CHEMBL4754718) Show SMILES COc1ccc(CN(C)CC(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561251 (CHEMBL4746614) Show SMILES COc1ccc(C(=O)N(C)CC(C)(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561252 (CHEMBL4789994) Show SMILES COc1ccc(C(=O)N(C)c2ccccc2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561253 (CHEMBL4786992) Show SMILES COc1ccc(C(=O)N(C)c2ccccn2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561254 (CHEMBL4748739) Show SMILES COc1ccc(C(=O)N(CC(C)C)c2ccccn2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561255 (CHEMBL4794401) Show SMILES COc1ccc(C(=O)N(CC(C)(C)C)c2ccccn2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561256 (CHEMBL4752289) Show SMILES COc1ccc(C(=O)N(CC(C)(C)C#N)c2ccccn2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561257 (CHEMBL4742099) Show SMILES COc1ccc(C(=O)N(CC(C)(C)OC)c2ccccn2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561258 (CHEMBL4763105) Show SMILES COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561259 (CHEMBL4743254) Show SMILES COC(CC(O)=O)c1cccc(OCC2CCN(CC2)c2cc(OC)ccc2C(=O)N(CC(C)(C)C)c2cccc(C)n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561260 (CHEMBL4761155) Show SMILES CCOC(CC(O)=O)c1cccc(OCC2CCN(CC2)c2cc(OC)ccc2C(=O)N(CC(C)(C)C)c2cccc(C)n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	74	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561261 (CHEMBL4748658) Show SMILES COCC(CC(O)=O)c1cccc(OCC2CCN(CC2)c2cc(OC)ccc2C(=O)N(CC(C)(C)C)c2cccc(C)n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561262 (CHEMBL4786019) Show SMILES COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N1CCC(COc2cccc(c2)C2(CC(O)=O)COC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	840	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561263 (CHEMBL4800194) Show SMILES COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N1CCC(COc2cc(ccn2)C(CC(O)=O)C2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561264 (CHEMBL4797024) Show SMILES COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N1CCC(COc2cc(ccn2)[C@H](CC(O)=O)C2CC2)CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	83	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50392861 (CHEMBL2152070) Show SMILES COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1C1=CCCC1(C)C |r,t:35| Show InChI InChI=1S/C33H35FO4/c1-33(2)15-5-8-30(33)28-16-21(9-13-26(28)29-18-24(37-3)12-14-31(29)34)20-38-25-7-4-6-23(17-25)27(19-32(35)36)22-10-11-22/h4,6-9,12-14,16-18,22,27H,5,10-11,15,19-20H2,1-3H3,(H,35,36)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50386790 (CHEMBL1829174 | CHEMBL2047159 | TAK-875 | US119052...) Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r| Show InChI InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561265 (CHEMBL4793427) Show SMILES COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1CC(C)(C)C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50392861 (CHEMBL2152070) Show SMILES COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1C1=CCCC1(C)C |r,t:35| Show InChI InChI=1S/C33H35FO4/c1-33(2)15-5-8-30(33)28-16-21(9-13-26(28)29-18-24(37-3)12-14-31(29)34)20-38-25-7-4-6-23(17-25)27(19-32(35)36)22-10-11-22/h4,6-9,12-14,16-18,22,27H,5,10-11,15,19-20H2,1-3H3,(H,35,36)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human GPR40 expressed in CHO cells by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50386790 (CHEMBL1829174 | CHEMBL2047159 | TAK-875 | US119052...) Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r| Show InChI InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human GPR40 expressed in CHO cells by LC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50561241 (CHEMBL4763356) Show SMILES COc1ccc(CCCC(C)(C)C)c(c1)-c1ccc(COc2cccc(c2)C(CC(O)=O)C2CC2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	410	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00843 BindingDB Entry DOI: 10.7270/Q2R2152G
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50260529 (CHEMBL4077626) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C83H121N21O20S/c1-10-44(6)67(102-76(118)62(38-65(109)110)99-79(121)68(45(7)106)103-75(117)59(35-47-25-27-50(108)28-26-47)96-74(116)61(37-49-40-91-54-21-14-12-19-52(49)54)97-72(114)58(34-42(2)3)92-46(8)107)78(120)95-55(22-15-30-88-82(84)85)69(111)94-57(29-33-125-9)70(112)100-63(41-105)77(119)98-60(36-48-39-90-53-20-13-11-18-51(48)53)73(115)93-56(23-16-31-89-83(86)87)71(113)101-66(43(4)5)80(122)104-32-17-24-64(104)81(123)124/h11-14,18-21,25-28,39-40,42-45,55-64,66-68,90-91,105-106,108H,10,15-17,22-24,29-38,41H2,1-9H3,(H,92,107)(H,93,115)(H,94,111)(H,95,120)(H,96,116)(H,97,114)(H,98,119)(H,99,121)(H,100,112)(H,101,113)(H,102,118)(H,103,117)(H,109,110)(H,123,124)(H4,84,85,88)(H4,86,87,89)/t44-,45+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to biotinylated BCL6 (unknown origin) by SPR analysis				Bioorg Med Chem 25: 4876-4886 (2017) Article DOI: 10.1016/j.bmc.2017.07.037 BindingDB Entry DOI: 10.7270/Q2G44SR7
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50260534 (CHEMBL4066375) Show SMILES OC(=O)CC(N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Br)cc12)C(O)=O Show InChI InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.29E+5	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to recombinant RED-NHS labelled BCL6 BTB domain (1 to 129 residues) (unknown origin) after 10 mins by microscale thermophoresis meth...				Bioorg Med Chem 25: 4876-4886 (2017) Article DOI: 10.1016/j.bmc.2017.07.037 BindingDB Entry DOI: 10.7270/Q2G44SR7
					More data for this Ligand-Target Pair

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