Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) with all data for entry = 50014169
TargetInterleukin-17A(Homo sapiens (Human))
Saitama University

Curated by ChEMBL
LigandPNGBDBM50573258(CHEMBL4869568)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O
Affinity DataIC50: 70nMAssay Description:Binding affinity to biotinylated human IL-17A assessed as inhibition of IL-17A interaction with 1L-17RA by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-17A(Homo sapiens (Human))
Saitama University

Curated by ChEMBL
LigandPNGBDBM50573255(CHEMBL4858175)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C72H105N13O19S2/c1-37(2)28-49(77-65(96)52(31-42-14-11-10-12-15-42)81-70(101)60(41(9)86)84-67(98)51(30-39(5)6)79-64(95)50(29-38(3)4)78-63(94)48(25-26-58(90)91)76-61(92)47(73)35-105)62(93)74-34-57(89)75-54(33-44-19-23-46(88)24-20-44)71(102)85-27-13-16-56(85)68(99)83-59(40(7)8)69(100)80-53(32-43-17-21-45(87)22-18-43)66(97)82-55(36-106)72(103)104/h10-12,14-15,17-24,37-41,47-56,59-60,86-88,105-106H,13,16,25-36,73H2,1-9H3,(H,74,93)(H,75,89)(H,76,92)(H,77,96)(H,78,94)(H,79,95)(H,80,100)(H,81,101)(H,82,97)(H,83,99)(H,84,98)(H,90,91)(H,103,104)/t41-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,59+,60+/m1/s1
Affinity DataKd:  12nMAssay Description:Binding affinity to human IL-17A assessed as dissociation constant in PBS-T measured after 60 mins by Biolayer interferometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-17A(Homo sapiens (Human))
Saitama University

Curated by ChEMBL
LigandPNGBDBM50573257(CHEMBL4878993)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C73H107N13O19S2/c1-37(2)29-50(78-66(97)53(32-43-15-12-11-13-16-43)81-71(102)60(42(10)87)85-68(99)52(31-39(5)6)79-65(96)51(30-38(3)4)77-63(94)49(26-27-58(90)91)76-62(93)48(74)35-106)64(95)75-41(9)61(92)82-55(34-45-20-24-47(89)25-21-45)72(103)86-28-14-17-57(86)69(100)84-59(40(7)8)70(101)80-54(33-44-18-22-46(88)23-19-44)67(98)83-56(36-107)73(104)105/h11-13,15-16,18-25,37-42,48-57,59-60,87-89,106-107H,14,17,26-36,74H2,1-10H3,(H,75,95)(H,76,93)(H,77,94)(H,78,97)(H,79,96)(H,80,101)(H,81,102)(H,82,92)(H,83,98)(H,84,100)(H,85,99)(H,90,91)(H,104,105)/t41-,42+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-/m0/s1
Affinity DataKd:  13nMAssay Description:Binding affinity to human IL-17A assessed as dissociation constant in PBS-T measured after 60 mins by Biolayer interferometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-17A(Homo sapiens (Human))
Saitama University

Curated by ChEMBL
LigandPNGBDBM50573258(CHEMBL4869568)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O
Affinity DataKd:  6.20nMAssay Description:Binding affinity to biotinylated human IL-17A by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-17A(Homo sapiens (Human))
Saitama University

Curated by ChEMBL
LigandPNGBDBM50573254(CHEMBL4872876)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C69H99N13O19S2/c1-35(2)27-47(76-62(93)49(29-40-13-10-9-11-14-40)78-67(98)57(39(8)83)81-64(95)48(28-36(3)4)75-58(89)38(7)72-61(92)46(24-25-55(87)88)74-59(90)45(70)33-102)60(91)71-32-54(86)73-51(31-42-18-22-44(85)23-19-42)68(99)82-26-12-15-53(82)65(96)80-56(37(5)6)66(97)77-50(30-41-16-20-43(84)21-17-41)63(94)79-52(34-103)69(100)101/h9-11,13-14,16-23,35-39,45-53,56-57,83-85,102-103H,12,15,24-34,70H2,1-8H3,(H,71,91)(H,72,92)(H,73,86)(H,74,90)(H,75,89)(H,76,93)(H,77,97)(H,78,98)(H,79,94)(H,80,96)(H,81,95)(H,87,88)(H,100,101)/t38-,39+,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-/m0/s1
Affinity DataKd:  110nMAssay Description:Binding affinity to human IL-17A assessed as dissociation constant in PBS-T measured after 60 mins by Biolayer interferometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-17A(Homo sapiens (Human))
Saitama University

Curated by ChEMBL
LigandPNGBDBM50573256(CHEMBL4854787)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C70H103N13O17S2/c1-36(2)27-48(76-63(92)51(30-42-15-12-11-13-16-42)79-68(97)58(41(10)84)82-65(94)50(29-38(5)6)77-62(91)49(28-37(3)4)75-59(88)40(9)73-60(89)47(71)34-101)61(90)72-33-56(87)74-53(32-44-20-24-46(86)25-21-44)69(98)83-26-14-17-55(83)66(95)81-57(39(7)8)67(96)78-52(31-43-18-22-45(85)23-19-43)64(93)80-54(35-102)70(99)100/h11-13,15-16,18-25,36-41,47-55,57-58,84-86,101-102H,14,17,26-35,71H2,1-10H3,(H,72,90)(H,73,89)(H,74,87)(H,75,88)(H,76,92)(H,77,91)(H,78,96)(H,79,97)(H,80,93)(H,81,95)(H,82,94)(H,99,100)/t40-,41+,47-,48-,49-,50-,51-,52-,53-,54-,55-,57-,58-/m0/s1
Affinity DataKd:  89nMAssay Description:Binding affinity to human IL-17A assessed as dissociation constant in PBS-T measured after 60 mins by Biolayer interferometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid