Compile Data Set for Download or QSAR
Found 390 with Last Name = 'yokoyama' and Initial = 'k'
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273137((3-{[(3-Carbamimidoyl-phenyl)-({4-[1-(1-imino-ethy...)
Show SMILES CC(=N)N1CCC(CC1)c1ccc(NC(=O)CN(Cc2cccc(OCC(O)=O)c2)c2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C31H36N6O4/c1-21(32)36-14-12-24(13-15-36)23-8-10-26(11-9-23)35-29(38)19-37(27-6-3-5-25(17-27)31(33)34)18-22-4-2-7-28(16-22)41-20-30(39)40/h2-11,16-17,24,32H,12-15,18-20H2,1H3,(H3,33,34)(H,35,38)(H,39,40)
Affinity DataKi:  1.73nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273136(CHEMBL455932 | CHEMBL463179 | {4-[2-(5-Carbamimido...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1
Show InChI InChI=1S/C24H25N3O8S2/c1-36(31,32)21-5-3-2-4-18(21)16-7-6-15(20(12-16)35-14-23(29)30)10-11-27-37(33,34)22-13-17(24(25)26)8-9-19(22)28/h2-9,12-13,27-28H,10-11,14H2,1H3,(H3,25,26)(H,29,30)
Affinity DataKi:  5nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273299(CHEMBL455933 | {4-[2-(5-Carbamimidoyl-2-hydroxy-be...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NCC(O)=O)c1
Show InChI InChI=1S/C24H26N4O7S2/c1-36(32,33)21-5-3-2-4-18(21)16-7-6-15(19(12-16)27-14-23(30)31)10-11-28-37(34,35)22-13-17(24(25)26)8-9-20(22)29/h2-9,12-13,27-29H,10-11,14H2,1H3,(H3,25,26)(H,30,31)
Affinity DataKi:  5.70nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273297(CHEMBL459136 | N-{2-[2-(5-Carbamimidoyl-2-hydroxy-...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NC(=O)C(O)=O)c1
Show InChI InChI=1S/C20H24N4O6S/c1-11(2)13-4-3-12(15(9-13)24-19(26)20(27)28)7-8-23-31(29,30)17-10-14(18(21)22)5-6-16(17)25/h3-6,9-11,23,25H,7-8H2,1-2H3,(H3,21,22)(H,24,26)(H,27,28)
Affinity DataKi:  9.70nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273229(CHEMBL455916 | {(5-Carbamimidoyl-2-hydroxy-benzene...)
Show SMILES CC(C)c1ccc(CCN(CC(O)=O)S(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C20H25N3O5S/c1-13(2)15-5-3-14(4-6-15)9-10-23(12-19(25)26)29(27,28)18-11-16(20(21)22)7-8-17(18)24/h3-8,11,13,24H,9-10,12H2,1-2H3,(H3,21,22)(H,25,26)
Affinity DataKi:  14nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273188(3-[2-(4-tert-Butyl-phenyl)-ethylsulfamoyl]-4-hydro...)
Show SMILES CC(C)(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C19H25N3O3S/c1-19(2,3)15-7-4-13(5-8-15)10-11-22-26(24,25)17-12-14(18(20)21)6-9-16(17)23/h4-9,12,22-23H,10-11H2,1-3H3,(H3,20,21)
Affinity DataKi:  27nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273138(4-Hydroxy-3-[2-(4-isopropyl-phenyl)-ethylsulfamoyl...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O3S/c1-12(2)14-5-3-13(4-6-14)9-10-21-25(23,24)17-11-15(18(19)20)7-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20)
Affinity DataKi:  29nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM17283((2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1
Affinity DataKi:  41nMAssay Description:Inhibition of factor 10a in human plasmaMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273262(CHEMBL458067 | {2-[2-(5-Carbamimidoyl-2-hydroxy-be...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1
Show InChI InChI=1S/C20H25N3O6S/c1-12(2)14-4-3-13(17(9-14)29-11-19(25)26)7-8-23-30(27,28)18-10-15(20(21)22)5-6-16(18)24/h3-6,9-10,12,23-24H,7-8,11H2,1-2H3,(H3,21,22)(H,25,26)
Affinity DataKi:  51nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273227(4-Hydroxy-3-{[2-(4-isopropyl-phenyl)-ethyl]-methyl...)
Show SMILES CC(C)c1ccc(CCN(C)S(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C19H25N3O3S/c1-13(2)15-6-4-14(5-7-15)10-11-22(3)26(24,25)18-12-16(19(20)21)8-9-17(18)23/h4-9,12-13,23H,10-11H2,1-3H3,(H3,20,21)
Affinity DataKi:  59nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273265(CHEMBL457633 | {2-[2-(5-Carbamimidoyl-2-hydroxy-be...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NCC(O)=O)c1
Show InChI InChI=1S/C20H26N4O5S/c1-12(2)14-4-3-13(16(9-14)23-11-19(26)27)7-8-24-30(28,29)18-10-15(20(21)22)5-6-17(18)25/h3-6,9-10,12,23-25H,7-8,11H2,1-2H3,(H3,21,22)(H,26,27)
Affinity DataKi:  62nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273187(4-Hydroxy-3-[2-(4-isopropoxy-phenyl)-ethylsulfamoy...)
Show SMILES CC(C)Oc1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O4S/c1-12(2)25-15-6-3-13(4-7-15)9-10-21-26(23,24)17-11-14(18(19)20)5-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20)
Affinity DataKi:  100nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273136(CHEMBL455932 | CHEMBL463179 | {4-[2-(5-Carbamimido...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1
Show InChI InChI=1S/C24H25N3O8S2/c1-36(31,32)21-5-3-2-4-18(21)16-7-6-15(20(12-16)35-14-23(29)30)10-11-27-37(33,34)22-13-17(24(25)26)8-9-19(22)28/h2-9,12-13,27-28H,10-11,14H2,1H3,(H3,25,26)(H,29,30)
Affinity DataKi:  500nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273189(3-[2-(4-Isopropyl-phenyl)-ethylsulfamoyl]-benzamid...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O2S/c1-13(2)15-8-6-14(7-9-15)10-11-21-24(22,23)17-5-3-4-16(12-17)18(19)20/h3-9,12-13,21H,10-11H2,1-2H3,(H3,19,20)
Affinity DataKi:  2.10E+3nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273190(4-Chloro-3-[2-(4-isopropyl-phenyl)-ethylsulfamoyl]...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2Cl)C(N)=N)cc1
Show InChI InChI=1S/C18H22ClN3O2S/c1-12(2)14-5-3-13(4-6-14)9-10-22-25(23,24)17-11-15(18(20)21)7-8-16(17)19/h3-8,11-12,22H,9-10H2,1-2H3,(H3,20,21)
Affinity DataKi:  3.00E+3nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273264(CHEMBL457632 | ethyl 2-(2-(2-(2-hydroxy-5-(N'-hydr...)
Show SMILES CCOC(=O)COc1cc(ccc1CCNS(=O)(=O)c1cc(ccc1O)C(=N)NO)C(C)C
Show InChI InChI=1S/C22H29N3O7S/c1-4-31-21(27)13-32-19-11-16(14(2)3)6-5-15(19)9-10-24-33(29,30)20-12-17(22(23)25-28)7-8-18(20)26/h5-8,11-12,14,24,26,28H,4,9-10,13H2,1-3H3,(H2,23,25)
Affinity DataKi:  3.50E+3nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273231(CHEMBL455919 | ethyl 2-(N-(4-isopropylphenethyl)-2...)
Show SMILES CCOC(=O)CN(CCc1ccc(cc1)C(C)C)S(=O)(=O)c1cc(ccc1O)C(=N)NO
Show InChI InChI=1S/C22H29N3O6S/c1-4-31-21(27)14-25(12-11-16-5-7-17(8-6-16)15(2)3)32(29,30)20-13-18(22(23)24-28)9-10-19(20)26/h5-10,13,15,26,28H,4,11-12,14H2,1-3H3,(H2,23,24)
Affinity DataKi:  3.70E+3nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273230(CHEMBL509493 | {[2-Hydroxy-5-(N-hydroxycarbamimido...)
Show SMILES CC(C)c1ccc(CCN(CC(O)=O)S(=O)(=O)c2cc(ccc2O)C(=N)NO)cc1
Show InChI InChI=1S/C20H25N3O6S/c1-13(2)15-5-3-14(4-6-15)9-10-23(12-19(25)26)30(28,29)18-11-16(20(21)22-27)7-8-17(18)24/h3-8,11,13,24,27H,9-10,12H2,1-2H3,(H2,21,22)(H,25,26)
Affinity DataKi:  7.00E+3nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273228(4,N-Dihydroxy-3-[2-(4-isopropyl-phenyl)-ethylsulfa...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(=N)NO)cc1
Show InChI InChI=1S/C18H23N3O4S/c1-12(2)14-5-3-13(4-6-14)9-10-20-26(24,25)17-11-15(18(19)21-23)7-8-16(17)22/h3-8,11-12,20,22-23H,9-10H2,1-2H3,(H2,19,21)
Affinity DataKi:  7.30E+3nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273263(2-(2-(2-(2-hydroxy-5-(N'-hydroxycarbamimidoyl)phen...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(=N)NO)c(OCC(O)=O)c1
Show InChI InChI=1S/C20H25N3O7S/c1-12(2)14-4-3-13(17(9-14)30-11-19(25)26)7-8-22-31(28,29)18-10-15(20(21)23-27)5-6-16(18)24/h3-6,9-10,12,22,24,27H,7-8,11H2,1-2H3,(H2,21,23)(H,25,26)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273138(4-Hydroxy-3-[2-(4-isopropyl-phenyl)-ethylsulfamoyl...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O3S/c1-12(2)14-5-3-13(4-6-14)9-10-21-25(23,24)17-11-15(18(19)20)7-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human thrombin by Dixon-plot methodMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273187(4-Hydroxy-3-[2-(4-isopropoxy-phenyl)-ethylsulfamoy...)
Show SMILES CC(C)Oc1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O4S/c1-12(2)25-15-6-3-13(4-7-15)9-10-21-26(23,24)17-11-14(18(19)20)5-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human thrombin by Dixon-plot methodMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273189(3-[2-(4-Isopropyl-phenyl)-ethylsulfamoyl]-benzamid...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O2S/c1-13(2)15-8-6-14(7-9-15)10-11-21-24(22,23)17-5-3-4-16(12-17)18(19)20/h3-9,12-13,21H,10-11H2,1-2H3,(H3,19,20)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human thrombin by Dixon-plot methodMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273191(3-[2-(4-Isopropyl-phenyl)-ethylsulfamoyl]-4-methox...)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCc1ccc(cc1)C(C)C)C(N)=N
Show InChI InChI=1S/C19H25N3O3S/c1-13(2)15-6-4-14(5-7-15)10-11-22-26(23,24)18-12-16(19(20)21)8-9-17(18)25-3/h4-9,12-13,22H,10-11H2,1-3H3,(H3,20,21)
Affinity DataKi:  1.40E+4nMAssay Description:Inhibition of human factor 10a by Dixon-plot methodMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273137((3-{[(3-Carbamimidoyl-phenyl)-({4-[1-(1-imino-ethy...)
Show SMILES CC(=N)N1CCC(CC1)c1ccc(NC(=O)CN(Cc2cccc(OCC(O)=O)c2)c2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C31H36N6O4/c1-21(32)36-14-12-24(13-15-36)23-8-10-26(11-9-23)35-29(38)19-37(27-6-3-5-25(17-27)31(33)34)18-22-4-2-7-28(16-22)41-20-30(39)40/h2-11,16-17,24,32H,12-15,18-20H2,1H3,(H3,33,34)(H,35,38)(H,39,40)
Affinity DataKi:  2.60E+4nMAssay Description:Inhibition of human thrombin by Dixon-plot methodMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50273136(CHEMBL455932 | CHEMBL463179 | {4-[2-(5-Carbamimido...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1
Show InChI InChI=1S/C24H25N3O8S2/c1-36(31,32)21-5-3-2-4-18(21)16-7-6-15(20(12-16)35-14-23(29)30)10-11-27-37(33,34)22-13-17(24(25)26)8-9-19(22)28/h2-9,12-13,27-28H,10-11,14H2,1H3,(H3,25,26)(H,29,30)
Affinity DataKi:  5.78E+4nMAssay Description:Inhibition of human thrombin by Dixon-plot methodMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM17283((2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1
Affinity DataKi: >2.00E+6nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50451011(CHEMBL4216889)
Show SMILES CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C82H140N28O19/c1-7-82(6,109-72(124)57(41-48-22-12-9-13-23-48)105-69(121)56(42-49-31-37-93-38-32-49)104-67(119)51(26-17-35-95-79(89)90)101-73(125)60-28-19-39-110(60)75(127)59(44-111)97-46(3)113)77(129)106-58(43-62(85)115)70(122)99-53(24-14-15-33-83)71(123)108-81(4,5)76(128)107-63(45(2)112)74(126)102-52(27-18-36-96-80(91)92)65(117)100-54(29-30-61(84)114)68(120)98-50(25-16-34-94-78(87)88)66(118)103-55(64(86)116)40-47-20-10-8-11-21-47/h31-32,37-38,45,47-48,50-60,63,111-112H,7-30,33-36,39-44,83H2,1-6H3,(H2,84,114)(H2,85,115)(H2,86,116)(H,97,113)(H,98,120)(H,99,122)(H,100,117)(H,101,125)(H,102,126)(H,103,118)(H,104,119)(H,105,121)(H,106,129)(H,107,128)(H,108,123)(H,109,124)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t45-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60-,63+,82+/m1/s1
Affinity DataIC50: 0.160nMAssay Description:Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50451012(CHEMBL4208191)
Show SMILES CC[C@@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C82H140N28O19/c1-7-82(6,77(129)107-63(45(2)112)74(126)102-52(27-18-36-96-80(91)92)65(117)100-54(29-30-61(84)114)68(120)98-50(25-16-34-94-78(87)88)66(118)103-55(64(86)116)40-47-20-10-8-11-21-47)109-71(123)53(24-14-15-33-83)99-70(122)58(43-62(85)115)106-76(128)81(4,5)108-72(124)57(41-48-22-12-9-13-23-48)105-69(121)56(42-49-31-37-93-38-32-49)104-67(119)51(26-17-35-95-79(89)90)101-73(125)60-28-19-39-110(60)75(127)59(44-111)97-46(3)113/h31-32,37-38,45,47-48,50-60,63,111-112H,7-30,33-36,39-44,83H2,1-6H3,(H2,84,114)(H2,85,115)(H2,86,116)(H,97,113)(H,98,120)(H,99,122)(H,100,117)(H,101,125)(H,102,126)(H,103,118)(H,104,119)(H,105,121)(H,106,128)(H,107,129)(H,108,124)(H,109,123)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t45-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60-,63+,82-/m1/s1
Affinity DataIC50: 0.270nMAssay Description:Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50451003(CHEMBL4207076)
Show SMILES CC[C@@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C81H140N28O19/c1-9-81(8,109-71(124)58(43-110)96-45(3)112)75(128)104-51(28-20-36-95-78(90)91)65(118)102-55(41-48-31-37-92-38-32-48)67(120)103-56(40-47-23-14-11-15-24-47)70(123)108-79(4,5)73(126)105-57(42-60(84)114)68(121)98-52(25-16-17-33-82)69(122)107-80(6,7)74(127)106-61(44(2)111)72(125)100-50(27-19-35-94-77(88)89)63(116)99-53(29-30-59(83)113)66(119)97-49(26-18-34-93-76(86)87)64(117)101-54(62(85)115)39-46-21-12-10-13-22-46/h31-32,37-38,44,46-47,49-58,61,110-111H,9-30,33-36,39-43,82H2,1-8H3,(H2,83,113)(H2,84,114)(H2,85,115)(H,96,112)(H,97,119)(H,98,121)(H,99,116)(H,100,125)(H,101,117)(H,102,118)(H,103,120)(H,104,128)(H,105,126)(H,106,127)(H,107,122)(H,108,123)(H,109,124)(H4,86,87,93)(H4,88,89,94)(H4,90,91,95)/t44-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,61+,81-/m1/s1
Affinity DataIC50: 0.300nMAssay Description:Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50450993(CHEMBL4210786)
Show SMILES CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C85H141N27O20/c1-9-85(8,111-76(128)62-39-50(115)43-112(62)78(130)61(44-113)107-74(126)60-42-95-45-98-60)80(132)108-57(38-49-29-34-94-35-30-49)71(123)104-56(37-48-22-14-11-15-23-48)70(122)106-59(41-83(3,4)5)73(125)105-58(40-64(88)117)72(124)100-53(24-16-17-31-86)75(127)110-84(6,7)79(131)109-65(46(2)114)77(129)102-52(26-19-33-97-82(92)93)67(119)101-54(27-28-63(87)116)69(121)99-51(25-18-32-96-81(90)91)68(120)103-55(66(89)118)36-47-20-12-10-13-21-47/h29-30,34-35,42,45-48,50-59,61-62,65,113-115H,9-28,31-33,36-41,43-44,86H2,1-8H3,(H2,87,116)(H2,88,117)(H2,89,118)(H,95,98)(H,99,121)(H,100,124)(H,101,119)(H,102,129)(H,103,120)(H,104,123)(H,105,125)(H,106,122)(H,107,126)(H,108,132)(H,109,131)(H,110,127)(H,111,128)(H4,90,91,96)(H4,92,93,97)/t46-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,61+,62-,65+,85+/m1/s1
Affinity DataIC50: 0.310nMAssay Description:Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATP-dependent RNA helicase RhlE(Plasmodium falciparum (malaria parasite P. falcipa...)
University of Washington at Seattle

LigandPNGBDBM13321(1-Methyl-1H-imidazole-4-sulfonic Acid (2-Bromoally...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CC(Br)=C)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
Show InChI InChI=1S/C22H24BrN7O2S/c1-16(23)10-30(33(31,32)22-13-27(2)15-26-22)19-7-18-6-17(8-24)4-5-21(18)29(11-19)12-20-9-25-14-28(20)3/h4-6,9,13-15,19H,1,7,10-12H2,2-3H3
Affinity DataIC50: 0.400nMpH: 7.5 T: 2°CAssay Description:Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...More data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50450996(CHEMBL4212927)
Show SMILES CC[C@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C83H141N25O19/c1-10-83(9,107-74(123)61-29-21-39-108(61)76(125)60(45-109)95-47(3)111)78(127)104-57(42-50-32-37-92-38-33-50)70(119)101-56(41-49-24-15-12-16-25-49)69(118)103-59(44-81(4,5)6)72(121)102-58(43-63(86)113)71(120)97-53(26-17-18-34-84)73(122)106-82(7,8)77(126)105-64(46(2)110)75(124)99-52(28-20-36-94-80(90)91)66(115)98-54(30-31-62(85)112)68(117)96-51(27-19-35-93-79(88)89)67(116)100-55(65(87)114)40-48-22-13-11-14-23-48/h32-33,37-38,46,48-49,51-61,64,109-110H,10-31,34-36,39-45,84H2,1-9H3,(H2,85,112)(H2,86,113)(H2,87,114)(H,95,111)(H,96,117)(H,97,120)(H,98,115)(H,99,124)(H,100,116)(H,101,119)(H,102,121)(H,103,118)(H,104,127)(H,105,126)(H,106,122)(H,107,123)(H4,88,89,93)(H4,90,91,94)/t46-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61-,64+,83+/m1/s1
Affinity DataIC50: 0.400nMAssay Description:Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50451008(CHEMBL4211953)
Show SMILES C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(C)(C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C80H138N28O19/c1-43(110)60(71(124)99-49(26-18-34-93-76(87)88)62(115)98-52(28-29-58(82)112)65(118)96-48(25-17-33-92-75(85)86)63(116)100-53(61(84)114)38-45-20-11-9-12-21-45)105-74(127)80(7,8)106-68(121)51(24-15-16-32-81)97-67(120)56(41-59(83)113)104-73(126)79(5,6)107-69(122)55(39-46-22-13-10-14-23-46)102-66(119)54(40-47-30-36-91-37-31-47)101-64(117)50(27-19-35-94-77(89)90)103-72(125)78(3,4)108-70(123)57(42-109)95-44(2)111/h30-31,36-37,43,45-46,48-57,60,109-110H,9-29,32-35,38-42,81H2,1-8H3,(H2,82,112)(H2,83,113)(H2,84,114)(H,95,111)(H,96,118)(H,97,120)(H,98,115)(H,99,124)(H,100,116)(H,101,117)(H,102,119)(H,103,125)(H,104,126)(H,105,127)(H,106,121)(H,107,122)(H,108,123)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t43-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,60+/m1/s1
Affinity DataIC50: 0.410nMAssay Description:Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50451027(CHEMBL4211310)
Show SMILES CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C83H137N27O20/c1-8-82(6,108-72(124)56(37-47-22-14-11-15-23-47)102-68(120)55(38-48-29-34-92-35-30-48)104-78(130)83(7,9-2)109-73(125)60-39-49(113)42-110(60)75(127)59(43-111)103-70(122)58-41-93-44-96-58)77(129)105-57(40-62(86)115)69(121)98-52(24-16-17-31-84)71(123)107-81(4,5)76(128)106-63(45(3)112)74(126)100-51(26-19-33-95-80(90)91)65(117)99-53(27-28-61(85)114)67(119)97-50(25-18-32-94-79(88)89)66(118)101-54(64(87)116)36-46-20-12-10-13-21-46/h29-30,34-35,41,44-47,49-57,59-60,63,111-113H,8-28,31-33,36-40,42-43,84H2,1-7H3,(H2,85,114)(H2,86,115)(H2,87,116)(H,93,96)(H,97,119)(H,98,121)(H,99,117)(H,100,126)(H,101,118)(H,102,120)(H,103,122)(H,104,130)(H,105,129)(H,106,128)(H,107,123)(H,108,124)(H,109,125)(H4,88,89,94)(H4,90,91,95)/t45-,49+,50+,51+,52+,53+,54+,55+,56+,57+,59+,60-,63+,82+,83+/m1/s1
Affinity DataIC50: 0.440nMAssay Description:Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50451025(CHEMBL4204797)
Show SMILES CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C80H138N28O19/c1-9-80(8,107-70(122)54(36-46-22-14-11-15-23-46)102-67(119)55(37-47-39-90-41-94-47)103-65(117)49(25-17-31-92-77(86)87)98-71(123)58-27-19-33-108(58)73(125)57(40-109)95-44(5)111)75(127)104-56(38-60(82)113)68(120)101-53(34-42(2)3)69(121)106-79(6,7)74(126)105-61(43(4)110)72(124)99-50(26-18-32-93-78(88)89)63(115)97-51(28-29-59(81)112)66(118)96-48(24-16-30-91-76(84)85)64(116)100-52(62(83)114)35-45-20-12-10-13-21-45/h39,41-43,45-46,48-58,61,109-110H,9-38,40H2,1-8H3,(H2,81,112)(H2,82,113)(H2,83,114)(H,90,94)(H,95,111)(H,96,118)(H,97,115)(H,98,123)(H,99,124)(H,100,116)(H,101,120)(H,102,119)(H,103,117)(H,104,127)(H,105,126)(H,106,121)(H,107,122)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t43-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,61+,80+/m1/s1
Affinity DataIC50: 0.450nMAssay Description:Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50451030(CHEMBL4216864)
Show SMILES CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C81H137N25O20/c1-9-80(7,104-70(120)56(38-47-23-15-12-16-24-47)99-67(117)55(39-48-30-35-90-36-31-48)100-76(126)81(8,10-2)105-71(121)59-40-49(110)42-106(59)73(123)58(43-107)93-45(4)109)75(125)101-57(41-61(84)112)68(118)95-52(25-17-18-32-82)69(119)103-79(5,6)74(124)102-62(44(3)108)72(122)97-51(27-20-34-92-78(88)89)64(114)96-53(28-29-60(83)111)66(116)94-50(26-19-33-91-77(86)87)65(115)98-54(63(85)113)37-46-21-13-11-14-22-46/h30-31,35-36,44,46-47,49-59,62,107-108,110H,9-29,32-34,37-43,82H2,1-8H3,(H2,83,111)(H2,84,112)(H2,85,113)(H,93,109)(H,94,116)(H,95,118)(H,96,114)(H,97,122)(H,98,115)(H,99,117)(H,100,126)(H,101,125)(H,102,124)(H,103,119)(H,104,120)(H,105,121)(H4,86,87,91)(H4,88,89,92)/t44-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59-,62+,80+,81+/m1/s1
Affinity DataIC50: 0.460nMAssay Description:Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50269185(CHEMBL4069788)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C86H145N27O19/c1-47(2)40-59(78(128)112-86(5,6)82(132)111-68(48(3)115)80(130)104-56(28-18-36-99-85(94)95)70(120)102-57(30-31-66(87)117)73(123)101-54(26-16-34-97-83(90)91)71(121)105-58(69(89)119)41-50-20-10-7-11-21-50)106-77(127)63(45-67(88)118)110-76(126)61(43-52-24-14-9-15-25-52)109-74(124)60(42-51-22-12-8-13-23-51)108-75(125)62(44-53-32-37-96-38-33-53)107-72(122)55(27-17-35-98-84(92)93)103-79(129)65-29-19-39-113(65)81(131)64(46-114)100-49(4)116/h32-33,37-38,47-48,50-52,54-65,68,114-115H,7-31,34-36,39-46H2,1-6H3,(H2,87,117)(H2,88,118)(H2,89,119)(H,100,116)(H,101,123)(H,102,120)(H,103,129)(H,104,130)(H,105,121)(H,106,127)(H,107,122)(H,108,125)(H,109,124)(H,110,126)(H,111,132)(H,112,128)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t48-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65-,68+/m1/s1
Affinity DataIC50: 0.490nMAssay Description:Displacement of [125I]peptide YY from human Y2 receptor expressed in CHO cell membranes after 60 mins by TopCount scintillation counting analysisMore data for this Ligand-Target Pair
LigandPNGBDBM50067584((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1
Affinity DataIC50: 0.5nMAssay Description:Inhibition of mammalian FarnesyltransferaseMore data for this Ligand-Target Pair
TargetDimer of Protein farnesyltransferase subunit beta(Homo sapiens (Human))
Yale University

Curated by ChEMBL
LigandPNGBDBM50067584((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1
Affinity DataIC50: 0.5nMAssay Description:Inhibition of mammalian protein farnesyltransferaseMore data for this Ligand-Target Pair
TargetATP-dependent RNA helicase RhlE(Plasmodium falciparum (malaria parasite P. falcipa...)
University of Washington at Seattle

LigandPNGBDBM13307(1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C25H27N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h3-11,15,18-20H,12-13,16-17H2,1-2H3
Affinity DataIC50: 0.5nMpH: 7.5 T: 2°CAssay Description:Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...More data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50450998(CHEMBL4207590)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C86H144N30O19/c1-46(2)35-57(78(131)115-86(4,5)82(135)114-67(47(3)118)80(133)106-54(27-17-33-100-85(94)95)69(122)104-55(29-30-65(87)119)72(125)103-52(25-15-31-98-83(90)91)70(123)107-56(68(89)121)36-48-19-9-6-10-20-48)108-76(129)61(40-66(88)120)112-74(127)59(38-50-23-13-8-14-24-50)109-73(126)58(37-49-21-11-7-12-22-49)110-75(128)60(39-51-41-96-44-101-51)111-71(124)53(26-16-32-99-84(92)93)105-79(132)64-28-18-34-116(64)81(134)63(43-117)113-77(130)62-42-97-45-102-62/h41-42,44-50,52-61,63-64,67,117-118H,6-40,43H2,1-5H3,(H2,87,119)(H2,88,120)(H2,89,121)(H,96,101)(H,97,102)(H,103,125)(H,104,122)(H,105,132)(H,106,133)(H,107,123)(H,108,129)(H,109,126)(H,110,128)(H,111,124)(H,112,127)(H,113,130)(H,114,135)(H,115,131)(H4,90,91,98)(H4,92,93,99)(H4,94,95,100)/t47-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,63+,64-,67+/m1/s1
Affinity DataIC50: 0.510nMAssay Description:Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50269166(CHEMBL4063306)
Show SMILES C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C84H145N29O19/c1-46(115)66(78(130)105-54(29-18-36-98-83(93)94)68(120)103-56(31-32-64(86)117)71(123)101-52(27-16-34-96-81(89)90)69(121)106-57(67(88)119)38-48-20-8-5-9-21-48)111-80(132)84(3,4)112-76(128)55(26-14-15-33-85)102-75(127)61(42-65(87)118)110-73(125)59(40-50-24-12-7-13-25-50)107-72(124)58(39-49-22-10-6-11-23-49)108-74(126)60(41-51-43-95-45-99-51)109-70(122)53(28-17-35-97-82(91)92)104-77(129)63-30-19-37-113(63)79(131)62(44-114)100-47(2)116/h43,45-46,48-50,52-63,66,114-115H,5-42,44,85H2,1-4H3,(H2,86,117)(H2,87,118)(H2,88,119)(H,95,99)(H,100,116)(H,101,123)(H,102,127)(H,103,120)(H,104,129)(H,105,130)(H,106,121)(H,107,124)(H,108,126)(H,109,122)(H,110,125)(H,111,132)(H,112,128)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t46-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,66+/m1/s1
Affinity DataIC50: 0.550nMAssay Description:Displacement of [125I]peptide YY from human Y2 receptor expressed in CHO cell membranes after 60 mins by TopCount scintillation counting analysisMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50450997(CHEMBL4202723)
Show SMILES CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C81H137N25O19/c1-9-80(7,104-70(119)56(41-48-24-15-12-16-25-48)99-67(116)55(42-49-32-37-90-38-33-49)100-76(125)81(8,10-2)105-71(120)59-29-21-39-106(59)73(122)58(44-107)93-46(4)109)75(124)101-57(43-61(84)111)68(117)95-52(26-17-18-34-82)69(118)103-79(5,6)74(123)102-62(45(3)108)72(121)97-51(28-20-36-92-78(88)89)64(113)96-53(30-31-60(83)110)66(115)94-50(27-19-35-91-77(86)87)65(114)98-54(63(85)112)40-47-22-13-11-14-23-47/h32-33,37-38,45,47-48,50-59,62,107-108H,9-31,34-36,39-44,82H2,1-8H3,(H2,83,110)(H2,84,111)(H2,85,112)(H,93,109)(H,94,115)(H,95,117)(H,96,113)(H,97,121)(H,98,114)(H,99,116)(H,100,125)(H,101,124)(H,102,123)(H,103,118)(H,104,119)(H,105,120)(H4,86,87,91)(H4,88,89,92)/t45-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59-,62+,80+,81+/m1/s1
Affinity DataIC50: 0.570nMAssay Description:Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50254346(CHEMBL4069932)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C180H279N53O54/c1-17-91(12)141(185)171(282)214-114(27-18-19-61-181)175(286)232-67-25-33-130(232)169(280)211-111(53-58-137(247)248)147(258)204-94(15)174(285)231-66-24-32-129(231)168(279)200-82-135(244)205-109(52-57-136(245)246)152(263)226-126(80-140(253)254)157(268)203-93(14)146(257)228-128(84-235)176(287)233-68-26-34-131(233)170(281)212-113(55-60-139(251)252)154(265)210-112(54-59-138(249)250)155(266)216-117(70-87(4)5)159(270)224-124(78-133(183)242)164(275)208-106(29-21-63-197-178(189)190)150(261)220-121(75-98-39-47-103(239)48-40-98)162(273)221-120(74-97-37-45-102(238)46-38-97)156(267)202-92(13)145(256)227-127(83-234)167(278)219-116(69-86(2)3)158(269)207-107(30-22-64-198-179(191)192)151(262)223-123(77-100-81-195-85-201-100)163(274)222-122(76-99-41-49-104(240)50-42-99)161(272)217-118(71-88(6)7)160(271)225-125(79-134(184)243)165(276)218-119(72-89(8)9)166(277)229-142(90(10)11)172(283)230-143(95(16)236)173(284)213-108(31-23-65-199-180(193)194)148(259)209-110(51-56-132(182)241)153(264)206-105(28-20-62-196-177(187)188)149(260)215-115(144(186)255)73-96-35-43-101(237)44-36-96/h35-50,81,85-95,105-131,141-143,234-240H,17-34,51-80,82-84,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H2,186,255)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,264)(H,207,269)(H,208,275)(H,209,259)(H,210,265)(H,211,280)(H,212,281)(H,213,284)(H,214,282)(H,215,260)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,261)(H,221,273)(H,222,274)(H,223,262)(H,224,270)(H,225,271)(H,226,263)(H,227,256)(H,228,257)(H,229,277)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t91-,92-,93-,94-,95-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1
Affinity DataIC50: 0.570nMAssay Description:Displacement of [125I]-PYY from human Y2R expressed in CHO cell membranes after 60 mins by liquid scintillation methodMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50197025(CHEMBL439904 | PYY(3-36))
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C180H279N53O54/c1-17-91(12)141(185)171(282)214-114(27-18-19-61-181)175(286)232-67-25-33-130(232)169(280)211-111(53-58-137(247)248)147(258)204-94(15)174(285)231-66-24-32-129(231)168(279)200-82-135(244)205-109(52-57-136(245)246)152(263)226-126(80-140(253)254)157(268)203-93(14)146(257)228-128(84-235)176(287)233-68-26-34-131(233)170(281)212-113(55-60-139(251)252)154(265)210-112(54-59-138(249)250)155(266)216-117(70-87(4)5)159(270)224-124(78-133(183)242)164(275)208-106(29-21-63-197-178(189)190)150(261)220-121(75-98-39-47-103(239)48-40-98)162(273)221-120(74-97-37-45-102(238)46-38-97)156(267)202-92(13)145(256)227-127(83-234)167(278)219-116(69-86(2)3)158(269)207-107(30-22-64-198-179(191)192)151(262)223-123(77-100-81-195-85-201-100)163(274)222-122(76-99-41-49-104(240)50-42-99)161(272)217-118(71-88(6)7)160(271)225-125(79-134(184)243)165(276)218-119(72-89(8)9)166(277)229-142(90(10)11)172(283)230-143(95(16)236)173(284)213-108(31-23-65-199-180(193)194)148(259)209-110(51-56-132(182)241)153(264)206-105(28-20-62-196-177(187)188)149(260)215-115(144(186)255)73-96-35-43-101(237)44-36-96/h35-50,81,85-95,105-131,141-143,234-240H,17-34,51-80,82-84,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H2,186,255)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,264)(H,207,269)(H,208,275)(H,209,259)(H,210,265)(H,211,280)(H,212,281)(H,213,284)(H,214,282)(H,215,260)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,261)(H,221,273)(H,222,274)(H,223,262)(H,224,270)(H,225,271)(H,226,263)(H,227,256)(H,228,257)(H,229,277)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1
Affinity DataIC50: 0.570nMAssay Description:Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based methodMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50197025(CHEMBL439904 | PYY(3-36))
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C180H279N53O54/c1-17-91(12)141(185)171(282)214-114(27-18-19-61-181)175(286)232-67-25-33-130(232)169(280)211-111(53-58-137(247)248)147(258)204-94(15)174(285)231-66-24-32-129(231)168(279)200-82-135(244)205-109(52-57-136(245)246)152(263)226-126(80-140(253)254)157(268)203-93(14)146(257)228-128(84-235)176(287)233-68-26-34-131(233)170(281)212-113(55-60-139(251)252)154(265)210-112(54-59-138(249)250)155(266)216-117(70-87(4)5)159(270)224-124(78-133(183)242)164(275)208-106(29-21-63-197-178(189)190)150(261)220-121(75-98-39-47-103(239)48-40-98)162(273)221-120(74-97-37-45-102(238)46-38-97)156(267)202-92(13)145(256)227-127(83-234)167(278)219-116(69-86(2)3)158(269)207-107(30-22-64-198-179(191)192)151(262)223-123(77-100-81-195-85-201-100)163(274)222-122(76-99-41-49-104(240)50-42-99)161(272)217-118(71-88(6)7)160(271)225-125(79-134(184)243)165(276)218-119(72-89(8)9)166(277)229-142(90(10)11)172(283)230-143(95(16)236)173(284)213-108(31-23-65-199-180(193)194)148(259)209-110(51-56-132(182)241)153(264)206-105(28-20-62-196-177(187)188)149(260)215-115(144(186)255)73-96-35-43-101(237)44-36-96/h35-50,81,85-95,105-131,141-143,234-240H,17-34,51-80,82-84,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H2,186,255)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,264)(H,207,269)(H,208,275)(H,209,259)(H,210,265)(H,211,280)(H,212,281)(H,213,284)(H,214,282)(H,215,260)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,261)(H,221,273)(H,222,274)(H,223,262)(H,224,270)(H,225,271)(H,226,263)(H,227,256)(H,228,257)(H,229,277)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1
Affinity DataIC50: 0.570nMAssay Description:Displacement of [125I]peptide YY from human Y2 receptor expressed in CHO cell membranes after 60 mins by TopCount scintillation counting analysisMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50450994(CHEMBL4206938)
Show SMILES CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C83H141N25O20/c1-10-83(9,107-74(124)61-40-50(112)43-108(61)76(126)60(44-109)95-46(3)111)78(128)104-57(39-49-30-35-92-36-31-49)70(120)101-56(38-48-23-15-12-16-24-48)69(119)103-59(42-81(4,5)6)72(122)102-58(41-63(86)114)71(121)97-53(25-17-18-32-84)73(123)106-82(7,8)77(127)105-64(45(2)110)75(125)99-52(27-20-34-94-80(90)91)66(116)98-54(28-29-62(85)113)68(118)96-51(26-19-33-93-79(88)89)67(117)100-55(65(87)115)37-47-21-13-11-14-22-47/h30-31,35-36,45,47-48,50-61,64,109-110,112H,10-29,32-34,37-44,84H2,1-9H3,(H2,85,113)(H2,86,114)(H2,87,115)(H,95,111)(H,96,118)(H,97,121)(H,98,116)(H,99,125)(H,100,117)(H,101,120)(H,102,122)(H,103,119)(H,104,128)(H,105,127)(H,106,123)(H,107,124)(H4,88,89,93)(H4,90,91,94)/t45-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61-,64+,83+/m1/s1
Affinity DataIC50: 0.580nMAssay Description:Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50269168(CHEMBL4069205)
Show SMILES C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C84H145N31O19/c1-45(117)65(77(132)107-53(27-16-34-99-82(92)93)67(122)105-55(30-31-63(85)119)70(125)103-51(25-14-32-97-80(88)89)68(123)108-56(66(87)121)37-47-19-8-5-9-20-47)113-79(134)84(3,4)114-75(130)54(28-17-35-100-83(94)95)104-74(129)60(41-64(86)120)112-72(127)58(39-49-23-12-7-13-24-49)109-71(126)57(38-48-21-10-6-11-22-48)110-73(128)59(40-50-42-96-44-101-50)111-69(124)52(26-15-33-98-81(90)91)106-76(131)62-29-18-36-115(62)78(133)61(43-116)102-46(2)118/h42,44-45,47-49,51-62,65,116-117H,5-41,43H2,1-4H3,(H2,85,119)(H2,86,120)(H2,87,121)(H,96,101)(H,102,118)(H,103,125)(H,104,129)(H,105,122)(H,106,131)(H,107,132)(H,108,123)(H,109,126)(H,110,128)(H,111,124)(H,112,127)(H,113,134)(H,114,130)(H4,88,89,97)(H4,90,91,98)(H4,92,93,99)(H4,94,95,100)/t45-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62-,65+/m1/s1
Affinity DataIC50: 0.600nMAssay Description:Displacement of [125I]peptide YY from human Y2 receptor expressed in CHO cell membranes after 60 mins by TopCount scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATP-dependent RNA helicase RhlE(Plasmodium falciparum (malaria parasite P. falcipa...)
University of Washington at Seattle

LigandPNGBDBM13323(1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-[6-cy...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(Cc1ccccc1)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
Show InChI InChI=1S/C26H27N7O2S/c1-30-17-26(29-19-30)36(34,35)33(14-20-6-4-3-5-7-20)23-11-22-10-21(12-27)8-9-25(22)32(15-23)16-24-13-28-18-31(24)2/h3-10,13,17-19,23H,11,14-16H2,1-2H3
Affinity DataIC50: 0.600nMpH: 7.5 T: 2°CAssay Description:Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...More data for this Ligand-Target Pair
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