Compile Data Set for Download or QSAR
Found 2 of ki for monomerid = 50442963
TargetKiSS-1 receptor(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50442963(CHEMBL3085804)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H84N18O14/c1-34(2)25-45(56(89)72-43(19-12-24-70-62(68)69-3)55(88)73-44(53(67)86)27-35-13-6-4-7-14-35)79-63(95)81-80-61(94)46(28-36-15-8-5-9-16-36)75-60(93)50(33-82)78-59(92)49(31-52(66)85)77-57(90)47(29-38-32-71-42-18-11-10-17-40(38)42)76-58(91)48(30-51(65)84)74-54(87)41(64)26-37-20-22-39(83)23-21-37/h4-11,13-18,20-23,32,34,41,43-50,71,82-83H,12,19,24-31,33,64H2,1-3H3,(H2,65,84)(H2,66,85)(H2,67,86)(H,72,89)(H,73,88)(H,74,87)(H,75,93)(H,76,91)(H,77,90)(H,78,92)(H,80,94)(H3,68,69,70)(H2,79,81,95)/t41-,43+,44+,45+,46+,47-,48-,49+,50+/m1/s1
Affinity DataKi:  0.0520nMAssay Description:Binding affinity to human KISS1R expressed in CHO cell membranesMore data for this Ligand-Target Pair
TargetKiSS-1 receptor(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50442963(CHEMBL3085804)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H84N18O14/c1-34(2)25-45(56(89)72-43(19-12-24-70-62(68)69-3)55(88)73-44(53(67)86)27-35-13-6-4-7-14-35)79-63(95)81-80-61(94)46(28-36-15-8-5-9-16-36)75-60(93)50(33-82)78-59(92)49(31-52(66)85)77-57(90)47(29-38-32-71-42-18-11-10-17-40(38)42)76-58(91)48(30-51(65)84)74-54(87)41(64)26-37-20-22-39(83)23-21-37/h4-11,13-18,20-23,32,34,41,43-50,71,82-83H,12,19,24-31,33,64H2,1-3H3,(H2,65,84)(H2,66,85)(H2,67,86)(H,72,89)(H,73,88)(H,74,87)(H,75,93)(H,76,91)(H,77,90)(H,78,92)(H,80,94)(H3,68,69,70)(H2,79,81,95)/t41-,43+,44+,45+,46+,47-,48-,49+,50+/m1/s1
Affinity DataKi:  0.0700nMAssay Description:Binding affinity to rat KISS1RMore data for this Ligand-Target Pair