Compile Data Set for Download or QSAR

Found 259 hits with Last Name = 'gonzalez' and Initial = 'c'   

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
Acid phosphatase (Francisella tularensis)	BDBM92477 (2-phospho-L-ascorbic acid) Show SMILES OCC(O)c1oc(=O)[c-](OP([O-])([O-])=O)c1O Show InChI InChI=1S/C6H8O9P/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13/h2,7-9H,1H2,(H2,11,12,13)/q-1/p-2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...				J Biol Chem 285: 5171-7 (2010) Article DOI: 10.1074/jbc.M109.039511 BindingDB Entry DOI: 10.7270/Q2348HZQ
					More data for this Ligand-Target Pair
Acid phosphatase (Francisella tularensis)	BDBM59083 (MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...) Show SMILES CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1 Show InChI InChI=1S/C32H55N4O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30/h19-25H,5-18,26-29H2,1-4H3/q+1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...				J Biol Chem 285: 5171-7 (2010) Article DOI: 10.1074/jbc.M109.039511 BindingDB Entry DOI: 10.7270/Q2348HZQ
					More data for this Ligand-Target Pair
Acid phosphatase (Francisella tularensis)	BDBM92476 ((+)-5,6-O-Isopropylidene-L-ascorbic acid) Show SMILES CC1(C)OC[C@H](O1)[C@H]1OC(=O)C(=O)C1O Show InChI InChI=1S/C9H12O6/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h4-5,7,10H,3H2,1-2H3/t4-,5?,7+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...				J Biol Chem 285: 5171-7 (2010) Article DOI: 10.1074/jbc.M109.039511 BindingDB Entry DOI: 10.7270/Q2348HZQ
					More data for this Ligand-Target Pair
Acid phosphatase (Francisella tularensis)	BDBM39344 (4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...) Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1 Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...				J Biol Chem 285: 5171-7 (2010) Article DOI: 10.1074/jbc.M109.039511 BindingDB Entry DOI: 10.7270/Q2348HZQ
					More data for this Ligand-Target Pair
Acid phosphatase (Francisella tularensis)	BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.54E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...				J Biol Chem 285: 5171-7 (2010) Article DOI: 10.1074/jbc.M109.039511 BindingDB Entry DOI: 10.7270/Q2348HZQ
					More data for this Ligand-Target Pair
Acid phosphatase (Francisella tularensis)	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...				J Biol Chem 285: 5171-7 (2010) Article DOI: 10.1074/jbc.M109.039511 BindingDB Entry DOI: 10.7270/Q2348HZQ
					More data for this Ligand-Target Pair
Acid phosphatase (Francisella tularensis)	BDBM92478 (Atracurium besylate | CHEMBL1360) Show SMILES COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	3.42E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...				J Biol Chem 285: 5171-7 (2010) Article DOI: 10.1074/jbc.M109.039511 BindingDB Entry DOI: 10.7270/Q2348HZQ
					More data for this Ligand-Target Pair
Acid phosphatase (Francisella tularensis)	BDBM50090256 ((R)-2-((S)-1,2-dihydroxyethyl)-4,5-dihydroxyfuran-...) Show SMILES OC[C@H](O)c1oc(O)c(O)c1O |r| Show InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,7-11H,1H2/t2-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...				J Biol Chem 285: 5171-7 (2010) Article DOI: 10.1074/jbc.M109.039511 BindingDB Entry DOI: 10.7270/Q2348HZQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of src kinase				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199773 (3-(4-((R)-3-(4-chloro-2-(pyridin-2-yl)phenoxy)buto...) Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1-c1ccccn1 Show InChI InChI=1S/C25H26ClNO4/c1-17-15-21(9-6-19(17)7-11-25(28)29)30-14-12-18(2)31-24-10-8-20(26)16-22(24)23-5-3-4-13-27-23/h3-6,8-10,13,15-16,18H,7,11-12,14H2,1-2H3,(H,28,29)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Interleukin-23 receptor (Homo sapiens)	BDBM50459752 (CHEMBL4206167) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(=O)N[C@@H](Cc1ccc(OCCN)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@](C)(CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(N)=O)NC(C)=O |r| Show InChI InChI=1S/C74H102N20O20S/c1-38(95)62-72(112)90-53(31-41-34-81-46-12-6-4-10-44(41)46)69(109)86-48(18-21-57(77)97)64(104)91-56(37-115-29-24-51(84-39(2)96)66(106)85-49(67(107)93-62)19-22-58(78)98)70(110)87-52(30-40-14-16-43(17-15-40)114-28-27-76)68(108)88-54(32-42-35-82-47-13-7-5-11-45(42)47)71(111)94-74(3,25-8-9-26-75)73(113)92-50(20-23-61(101)102)65(105)89-55(33-59(79)99)63(103)83-36-60(80)100/h4-7,10-17,34-35,38,48-56,62,81-82,95H,8-9,18-33,36-37,75-76H2,1-3H3,(H2,77,97)(H2,78,98)(H2,79,99)(H2,80,100)(H,83,103)(H,84,96)(H,85,106)(H,86,109)(H,87,110)(H,88,108)(H,89,105)(H,90,112)(H,91,104)(H,92,113)(H,93,107)(H,94,111)(H,101,102)/t38-,48+,49+,50+,51+,52+,53+,54+,55+,56+,62+,74+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci£n Lilly S.A. Curated by ChEMBL					Assay Description Binding affinity to recombinant human flag/His-tagged IL-23R (1 to 353 residues) expressed in HEK293F cells assessed as disruption of biotinylated IL...				ACS Med Chem Lett 9: 912-916 (2018) Article DOI: 10.1021/acsmedchemlett.8b00255 BindingDB Entry DOI: 10.7270/Q25B054G
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50194627 ((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199778 (3-(4-((R)-3-(4-ethyl-2-(thiazol-4-yl)phenoxy)butox...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cscn1 Show InChI InChI=1S/C25H29NO4S/c1-4-19-5-9-24(22(14-19)23-15-31-16-26-23)30-18(3)11-12-29-21-8-6-20(17(2)13-21)7-10-25(27)28/h5-6,8-9,13-16,18H,4,7,10-12H2,1-3H3,(H,27,28)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199781 (3-(2-ethyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluoro...) Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(cc2-c2ccccn2)C(F)(F)F)ccc1CCC(O)=O Show InChI InChI=1S/C27H28F3NO4/c1-3-19-16-22(10-7-20(19)8-12-26(32)33)34-15-13-18(2)35-25-11-9-21(27(28,29)30)17-23(25)24-6-4-5-14-31-24/h4-7,9-11,14,16-18H,3,8,12-13,15H2,1-2H3,(H,32,33)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199776 (3-(2-ethyl-4-((R)-3-(4-ethyl-2-(pyridin-2-yl)pheno...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(CC)c2)c(c1)-c1ccccn1 Show InChI InChI=1S/C28H33NO4/c1-4-21-9-13-27(25(18-21)26-8-6-7-16-29-26)33-20(3)15-17-32-24-12-10-23(11-14-28(30)31)22(5-2)19-24/h6-10,12-13,16,18-20H,4-5,11,14-15,17H2,1-3H3,(H,30,31)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199779 (3-(4-((R)-3-(4-ethyl-2-(pyridin-2-yl)phenoxy)butox...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccn1 Show InChI InChI=1S/C27H31NO4/c1-4-21-8-12-26(24(18-21)25-7-5-6-15-28-25)32-20(3)14-16-31-23-11-9-22(19(2)17-23)10-13-27(29)30/h5-9,11-12,15,17-18,20H,4,10,13-14,16H2,1-3H3,(H,29,30)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199777 (3-(2-methyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluor...) Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(cc1-c1ccccn1)C(F)(F)F Show InChI InChI=1S/C26H26F3NO4/c1-17-15-21(9-6-19(17)7-11-25(31)32)33-14-12-18(2)34-24-10-8-20(26(27,28)29)16-22(24)23-5-3-4-13-30-23/h3-6,8-10,13,15-16,18H,7,11-12,14H2,1-2H3,(H,31,32)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM17055 ((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...) Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10| Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C beta 1				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50052034 (18-methylaminomethyl-(18S)-17-oxa-4,14,21-triazahe...) Show SMILES CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:9| Show InChI InChI=1S/C27H26N4O3/c1-28-14-17-10-11-30-15-20(18-6-2-4-8-22(18)30)24-25(27(33)29-26(24)32)21-16-31(12-13-34-17)23-9-5-3-7-19(21)23/h2-9,15-17,28H,10-14H2,1H3,(H,29,32,33)/t17-/m0/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C beta 1				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199774 (3-{4-[(R)-3-(5-ethyl-biphenyl-2-yloxy)-butoxy]-2-m...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccc1 Show InChI InChI=1S/C28H32O4/c1-4-22-10-14-27(26(19-22)24-8-6-5-7-9-24)32-21(3)16-17-31-25-13-11-23(20(2)18-25)12-15-28(29)30/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,29,30)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194627 ((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199783 (3-(4-((R)-3-(4-ethyl-2-(pyridin-3-yl)phenoxy)butox...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cccnc1 Show InChI InChI=1S/C27H31NO4/c1-4-21-7-11-26(25(17-21)23-6-5-14-28-18-23)32-20(3)13-15-31-24-10-8-22(19(2)16-24)9-12-27(29)30/h5-8,10-11,14,16-18,20H,4,9,12-13,15H2,1-3H3,(H,29,30)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199785 ((R)-3-(4-(3-(4-ethyl-2-(pyridin-4-yl)phenoxy)butox...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccncc1 Show InChI InChI=1S/C27H31NO4/c1-4-21-5-9-26(25(18-21)23-11-14-28-15-12-23)32-20(3)13-16-31-24-8-6-22(19(2)17-24)7-10-27(29)30/h5-6,8-9,11-12,14-15,17-18,20H,4,7,10,13,16H2,1-3H3,(H,29,30)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50052034 (18-methylaminomethyl-(18S)-17-oxa-4,14,21-triazahe...) Show SMILES CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:9| Show InChI InChI=1S/C27H26N4O3/c1-28-14-17-10-11-30-15-20(18-6-2-4-8-22(18)30)24-25(27(33)29-26(24)32)21-16-31(12-13-34-17)23-9-5-3-7-19(21)23/h2-9,15-17,28H,10-14H2,1H3,(H,29,32,33)/t17-/m0/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C beta 2				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199782 (3-(4-((R)-3-(4-ethyl-2-(oxazol-2-yl)phenoxy)butoxy...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ncco1 Show InChI InChI=1S/C25H29NO5/c1-4-19-5-9-23(22(16-19)25-26-12-14-30-25)31-18(3)11-13-29-21-8-6-20(17(2)15-21)7-10-24(27)28/h5-6,8-9,12,14-16,18H,4,7,10-11,13H2,1-3H3,(H,27,28)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Interleukin-23 receptor (Homo sapiens)	BDBM50459752 (CHEMBL4206167) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(=O)N[C@@H](Cc1ccc(OCCN)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@](C)(CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(N)=O)NC(C)=O |r| Show InChI InChI=1S/C74H102N20O20S/c1-38(95)62-72(112)90-53(31-41-34-81-46-12-6-4-10-44(41)46)69(109)86-48(18-21-57(77)97)64(104)91-56(37-115-29-24-51(84-39(2)96)66(106)85-49(67(107)93-62)19-22-58(78)98)70(110)87-52(30-40-14-16-43(17-15-40)114-28-27-76)68(108)88-54(32-42-35-82-47-13-7-5-11-45(42)47)71(111)94-74(3,25-8-9-26-75)73(113)92-50(20-23-61(101)102)65(105)89-55(33-59(79)99)63(103)83-36-60(80)100/h4-7,10-17,34-35,38,48-56,62,81-82,95H,8-9,18-33,36-37,75-76H2,1-3H3,(H2,77,97)(H2,78,98)(H2,79,99)(H2,80,100)(H,83,103)(H,84,96)(H,85,106)(H,86,109)(H,87,110)(H,88,108)(H,89,105)(H,90,112)(H,91,104)(H,92,113)(H,93,107)(H,94,111)(H,101,102)/t38-,48+,49+,50+,51+,52+,53+,54+,55+,56+,62+,74+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci£n Lilly S.A. Curated by ChEMBL					Assay Description Binding affinity to recombinant human flag/His-tagged IL-23R (1 to 353 residues) expressed in HEK293F cells assessed as disruption of biotinylated IL...				ACS Med Chem Lett 9: 912-916 (2018) Article DOI: 10.1021/acsmedchemlett.8b00255 BindingDB Entry DOI: 10.7270/Q25B054G
					More data for this Ligand-Target Pair
Serine palmitoyltransferase 1 (Homo sapiens (Human))	BDBM50535848 (CHEMBL4584997) Show SMILES CCCCCCC(=O)c1cc(-c2ccc(CC(O)=O)cc2)c2nccn2c1 Show InChI InChI=1S/C22H24N2O3/c1-2-3-4-5-6-20(25)18-14-19(22-23-11-12-24(22)15-18)17-9-7-16(8-10-17)13-21(26)27/h7-12,14-15H,2-6,13H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human SPT1 expressed in microsomes of HEK293 cells incubated for 1hr by LC/MS analysis				J Med Chem 59: 5904-10 (2016) Article DOI: 10.1021/acs.jmedchem.5b01851 BindingDB Entry DOI: 10.7270/Q29K4FR1
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM17055 ((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...) Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10| Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C beta 2				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199772 (3-(4-((R)-3-(4-ethyl-2-(thiophen-3-yl)phenoxy)buto...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccsc1 Show InChI InChI=1S/C26H30O4S/c1-4-20-5-9-25(24(16-20)22-12-14-31-17-22)30-19(3)11-13-29-23-8-6-21(18(2)15-23)7-10-26(27)28/h5-6,8-9,12,14-17,19H,4,7,10-11,13H2,1-3H3,(H,27,28)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50054042 ((E)-6-(4-Hydroxy-7-methyl-3-oxo-6-vinyl-1,3-dihydr...) Show SMILES C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1C=C Show InChI InChI=1S/C18H20O5/c1-4-12-11(3)14-9-23-18(22)16(14)17(21)13(12)7-5-10(2)6-8-15(19)20/h4-5,21H,1,6-9H2,2-3H3,(H,19,20)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.51	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of human recombinant inosine monophosphate dehydrogenase type II .				J Med Chem 39: 4181-96 (1996) Article DOI: 10.1021/jm9603633 BindingDB Entry DOI: 10.7270/Q2668C8Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199775 (3-(4-((R)-3-(4-ethyl-2-(thiophen-2-yl)phenoxy)buto...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cccs1 Show InChI InChI=1S/C26H30O4S/c1-4-20-7-11-24(23(17-20)25-6-5-15-31-25)30-19(3)13-14-29-22-10-8-21(18(2)16-22)9-12-26(27)28/h5-8,10-11,15-17,19H,4,9,12-14H2,1-3H3,(H,27,28)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199771 (3-(4-((R)-3-(4-ethyl-2-(thiazol-2-yl)phenoxy)butox...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1nccs1 Show InChI InChI=1S/C25H29NO4S/c1-4-19-5-9-23(22(16-19)25-26-12-14-31-25)30-18(3)11-13-29-21-8-6-20(17(2)15-21)7-10-24(27)28/h5-6,8-9,12,14-16,18H,4,7,10-11,13H2,1-3H3,(H,27,28)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50054021 ((E)-6-(6-Ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydr...) Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C18H22O5/c1-4-12-11(3)14-9-23-18(22)16(14)17(21)13(12)7-5-10(2)6-8-15(19)20/h5,21H,4,6-9H2,1-3H3,(H,19,20)/b10-5+	PDB MMDB 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	12.6	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of human recombinant inosine monophosphate dehydrogenase type II .				J Med Chem 39: 4181-96 (1996) Article DOI: 10.1021/jm9603633 BindingDB Entry DOI: 10.7270/Q2668C8Q
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199784 (3-(4-((R)-3-(4-ethyl-2-(oxazol-4-yl)phenoxy)butoxy...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cocn1 Show InChI InChI=1S/C25H29NO5/c1-4-19-5-9-24(22(14-19)23-15-29-16-26-23)31-18(3)11-12-30-21-8-6-20(17(2)13-21)7-10-25(27)28/h5-6,8-9,13-16,18H,4,7,10-12H2,1-3H3,(H,27,28)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50199780 (3-(4-((R)-3-(4-ethyl-2-(furan-2-yl)phenoxy)butoxy)...) Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccco1 Show InChI InChI=1S/C26H30O5/c1-4-20-7-11-25(23(17-20)24-6-5-14-30-24)31-19(3)13-15-29-22-10-8-21(18(2)16-22)9-12-26(27)28/h5-8,10-11,14,16-17,19H,4,9,12-13,15H2,1-3H3,(H,27,28)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50199781 (3-(2-ethyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluoro...) Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(cc2-c2ccccn2)C(F)(F)F)ccc1CCC(O)=O Show InChI InChI=1S/C27H28F3NO4/c1-3-19-16-22(10-7-20(19)8-12-26(32)33)34-15-13-18(2)35-25-11-9-21(27(28,29)30)17-23(25)24-6-4-5-14-31-24/h4-7,9-11,14,16-18H,3,8,12-13,15H2,1-2H3,(H,32,33)/t18-/m1/s1	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C epsilon				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50054019 ((E)-6-(4-Hydroxy-6,7-dimethyl-3-oxo-1,3-dihydro-is...) Show SMILES C\C(CCC(O)=O)=C/Cc1c(C)c(C)c2COC(=O)c2c1O Show InChI InChI=1S/C17H20O5/c1-9(5-7-14(18)19)4-6-12-10(2)11(3)13-8-22-17(21)15(13)16(12)20/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB 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	18.6	n/a	n/a	n/a	n/a	8.0	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0				J Med Chem 39: 4181-96 (1996) Article DOI: 10.1021/jm9603633 BindingDB Entry DOI: 10.7270/Q2668C8Q
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C beta 2				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50199777 (3-(2-methyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluor...) Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(cc1-c1ccccn1)C(F)(F)F Show InChI InChI=1S/C26H26F3NO4/c1-17-15-21(9-6-19(17)7-11-25(31)32)33-14-12-18(2)34-24-10-8-20(26(27,28)29)16-22(24)23-5-3-4-13-30-23/h3-6,8-10,13,15-16,18H,7,11-12,14H2,1-2H3,(H,31,32)/t18-/m1/s1	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma				Bioorg Med Chem Lett 17: 1052-5 (2007) Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C beta 1				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50052041 (18-(4-methylhexahydro-1-pyrazinylmethyl)-(18S)-17-...) Show SMILES CN1CCN(C[C@@H]2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCO2)c2ccccc42)c2ccccc32)CC1 |t:12| Show InChI InChI=1S/C31H33N5O3/c1-33-12-14-34(15-13-33)18-21-10-11-35-19-24(22-6-2-4-8-26(22)35)28-29(31(38)32-30(28)37)25-20-36(16-17-39-21)27-9-5-3-7-23(25)27/h2-9,19-21H,10-18H2,1H3,(H,32,37,38)/t21-/m0/s1	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C beta 2				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	24.8	n/a	n/a	n/a	n/a	8.0	n/a
Syntex Research Curated by ChEMBL					Assay Description Compound was tested for inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at pH 8.0				J Med Chem 39: 4181-96 (1996) Article DOI: 10.1021/jm9603633 BindingDB Entry DOI: 10.7270/Q2668C8Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	8.0	n/a
Syntex Research Curated by ChEMBL					Assay Description Compound was tested for inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at pH 8.0				J Med Chem 39: 4181-96 (1996) Article DOI: 10.1021/jm9603633 BindingDB Entry DOI: 10.7270/Q2668C8Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein kinase C delta type (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C delta				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50052039 (18-hydroxymethyl-(18S)-17-oxa-4,14,21-triazahexacy...) Show SMILES OC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8| Show InChI InChI=1S/C26H23N3O4/c30-15-16-9-10-28-13-19(17-5-1-3-7-21(17)28)23-24(26(32)27-25(23)31)20-14-29(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,13-14,16,30H,9-12,15H2,(H,27,31,32)/t16-/m0/s1	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	28	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C beta 2				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50052041 (18-(4-methylhexahydro-1-pyrazinylmethyl)-(18S)-17-...) Show SMILES CN1CCN(C[C@@H]2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCO2)c2ccccc42)c2ccccc32)CC1 |t:12| Show InChI InChI=1S/C31H33N5O3/c1-33-12-14-34(15-13-33)18-21-10-11-35-19-24(22-6-2-4-8-26(22)35)28-29(31(38)32-30(28)37)25-20-36(16-17-39-21)27-9-5-3-7-23(25)27/h2-9,19-21H,10-18H2,1H3,(H,32,37,38)/t21-/m0/s1	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C beta 1				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM50052034 (18-methylaminomethyl-(18S)-17-oxa-4,14,21-triazahe...) Show SMILES CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:9| Show InChI InChI=1S/C27H26N4O3/c1-28-14-17-10-11-30-15-20(18-6-2-4-8-22(18)30)24-25(27(33)29-26(24)32)21-16-31(12-13-34-17)23-9-5-3-7-19(21)23/h2-9,15-17,28H,10-14H2,1H3,(H,29,32,33)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50052037 (18-aminomethyl-(18S)-17-oxa-4,14,21-triazahexacycl...) Show SMILES NC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8| Show InChI InChI=1S/C26H24N4O3/c27-13-16-9-10-29-14-19(17-5-1-3-7-21(17)29)23-24(26(32)28-25(23)31)20-15-30(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,14-16H,9-13,27H2,(H,28,31,32)/t16-/m0/s1	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
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C beta 2				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair

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