BDBM50038007 CHEMBL2370626::Tyr-Gly-Gly-Phe-Cys-Arg-Arg-Ile-Arg-Pro-Pen-NH2

SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]

InChI Key InChIKey=AVKXYIHXPWNSOJ-CRUWRZBZSA-N

Data  3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50038007   

TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50038007(CHEMBL2370626 | Tyr-Gly-Gly-Phe-Cys-Arg-Arg-Ile-Ar...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCCSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C59H93N21O12S2/c1-3-33(2)47-55(91)76-40(15-9-23-70-59(66)67)56(92)80-24-10-16-44(80)54(90)77-42(48(61)84)31-93-25-26-94-32-43(53(89)75-38(13-7-21-68-57(62)63)50(86)74-39(51(87)79-47)14-8-22-69-58(64)65)78-52(88)41(28-34-11-5-4-6-12-34)73-46(83)30-71-45(82)29-72-49(85)37(60)27-35-17-19-36(81)20-18-35/h4-6,11-12,17-20,33,37-44,47,81H,3,7-10,13-16,21-32,60H2,1-2H3,(H2,61,84)(H,71,82)(H,72,85)(H,73,83)(H,74,86)(H,75,89)(H,76,91)(H,77,90)(H,78,88)(H,79,87)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t33-,37-,38-,39-,40-,41-,42-,43+,44-,47+/m0/s1
Affinity DataIC50: 15nMAssay Description:Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69,593 displacement.More data for this Ligand-Target Pair
TargetMu-type opioid receptor(GUINEA PIG)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50038007(CHEMBL2370626 | Tyr-Gly-Gly-Phe-Cys-Arg-Arg-Ile-Ar...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCCSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C59H93N21O12S2/c1-3-33(2)47-55(91)76-40(15-9-23-70-59(66)67)56(92)80-24-10-16-44(80)54(90)77-42(48(61)84)31-93-25-26-94-32-43(53(89)75-38(13-7-21-68-57(62)63)50(86)74-39(51(87)79-47)14-8-22-69-58(64)65)78-52(88)41(28-34-11-5-4-6-12-34)73-46(83)30-71-45(82)29-72-49(85)37(60)27-35-17-19-36(81)20-18-35/h4-6,11-12,17-20,33,37-44,47,81H,3,7-10,13-16,21-32,60H2,1-2H3,(H2,61,84)(H,71,82)(H,72,85)(H,73,83)(H,74,86)(H,75,89)(H,76,91)(H,77,90)(H,78,88)(H,79,87)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t33-,37-,38-,39-,40-,41-,42-,43+,44-,47+/m0/s1
Affinity DataIC50: 473nMAssay Description:Binding affinity at mu opioid receptor in guinea pig brain by [3H]-DAMGO displacement.More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50038007(CHEMBL2370626 | Tyr-Gly-Gly-Phe-Cys-Arg-Arg-Ile-Ar...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCCSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C59H93N21O12S2/c1-3-33(2)47-55(91)76-40(15-9-23-70-59(66)67)56(92)80-24-10-16-44(80)54(90)77-42(48(61)84)31-93-25-26-94-32-43(53(89)75-38(13-7-21-68-57(62)63)50(86)74-39(51(87)79-47)14-8-22-69-58(64)65)78-52(88)41(28-34-11-5-4-6-12-34)73-46(83)30-71-45(82)29-72-49(85)37(60)27-35-17-19-36(81)20-18-35/h4-6,11-12,17-20,33,37-44,47,81H,3,7-10,13-16,21-32,60H2,1-2H3,(H2,61,84)(H,71,82)(H,72,85)(H,73,83)(H,74,86)(H,75,89)(H,76,91)(H,77,90)(H,78,88)(H,79,87)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t33-,37-,38-,39-,40-,41-,42-,43+,44-,47+/m0/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity at delta opioid receptor in guinea pig brain by [3H]c[D-Pen2, p-Cl-Phe4, D-Pen5]-enkephalin displacement.More data for this Ligand-Target Pair