Compile Data Set for Download or QSAR
Found 233 Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 2'
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50049425(CHEMBL3356083)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C54H78N16O10/c1-31(2)26-40(68-50(78)41(28-32-12-5-3-6-13-32)67-46(74)36(55)27-34-19-21-35(71)22-20-34)48(76)69-42(29-33-14-7-4-8-15-33)49(77)65-38(17-10-24-63-54(60)61)52(80)70-25-11-18-43(70)51(79)64-37(16-9-23-62-53(58)59)47(75)66-39(45(57)73)30-44(56)72/h3-8,12-15,19-22,31,36-43,71H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,72)(H2,57,73)(H,64,79)(H,65,77)(H,66,75)(H,67,74)(H,68,78)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
Affinity DataIC50: 1.70nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting methodMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50049425(CHEMBL3356083)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C54H78N16O10/c1-31(2)26-40(68-50(78)41(28-32-12-5-3-6-13-32)67-46(74)36(55)27-34-19-21-35(71)22-20-34)48(76)69-42(29-33-14-7-4-8-15-33)49(77)65-38(17-10-24-63-54(60)61)52(80)70-25-11-18-43(70)51(79)64-37(16-9-23-62-53(58)59)47(75)66-39(45(57)73)30-44(56)72/h3-8,12-15,19-22,31,36-43,71H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,72)(H2,57,73)(H,64,79)(H,65,77)(H,66,75)(H,67,74)(H,68,78)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
Affinity DataIC50: 1.70nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291730(CHEMBL4169726)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C56H80N16O11/c1-32(2)27-41(69-52(81)44(29-35-15-8-5-9-16-35)71-50(79)42(65-33(3)73)30-36-20-22-37(74)23-21-36)49(78)70-43(28-34-13-6-4-7-14-34)51(80)67-39(18-11-25-64-56(61)62)54(83)72-26-12-19-45(72)53(82)66-38(17-10-24-63-55(59)60)48(77)68-40(47(58)76)31-46(57)75/h4-9,13-16,20-23,32,38-45,74H,10-12,17-19,24-31H2,1-3H3,(H2,57,75)(H2,58,76)(H,65,73)(H,66,82)(H,67,80)(H,68,77)(H,69,81)(H,70,78)(H,71,79)(H4,59,60,63)(H4,61,62,64)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
Affinity DataIC50: 2nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting methodMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291730(CHEMBL4169726)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C56H80N16O11/c1-32(2)27-41(69-52(81)44(29-35-15-8-5-9-16-35)71-50(79)42(65-33(3)73)30-36-20-22-37(74)23-21-36)49(78)70-43(28-34-13-6-4-7-14-34)51(80)67-39(18-11-25-64-56(61)62)54(83)72-26-12-19-45(72)53(82)66-38(17-10-24-63-55(59)60)48(77)68-40(47(58)76)31-46(57)75/h4-9,13-16,20-23,32,38-45,74H,10-12,17-19,24-31H2,1-3H3,(H2,57,75)(H2,58,76)(H,65,73)(H,66,82)(H,67,80)(H,68,77)(H,69,81)(H,70,78)(H,71,79)(H4,59,60,63)(H4,61,62,64)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
Affinity DataIC50: 2nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291714(CHEMBL4177021)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C58H84N16O11/c1-32(2)25-43(71-53(82)45(29-37-17-10-7-11-18-37)73-54(83)46(67-35(5)75)30-39-33(3)26-38(76)27-34(39)4)51(80)72-44(28-36-15-8-6-9-16-36)52(81)69-41(20-13-23-66-58(63)64)56(85)74-24-14-21-47(74)55(84)68-40(19-12-22-65-57(61)62)50(79)70-42(49(60)78)31-48(59)77/h6-11,15-18,26-27,32,40-47,76H,12-14,19-25,28-31H2,1-5H3,(H2,59,77)(H2,60,78)(H,67,75)(H,68,84)(H,69,81)(H,70,79)(H,71,82)(H,72,80)(H,73,83)(H4,61,62,65)(H4,63,64,66)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
Affinity DataIC50: 2.40nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291715(CHEMBL4172552)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C56H82N16O10/c1-31(2)24-42(70-52(80)43(27-34-14-7-5-8-15-34)69-48(76)38(57)29-37-32(3)25-36(73)26-33(37)4)50(78)71-44(28-35-16-9-6-10-17-35)51(79)67-40(19-12-22-65-56(62)63)54(82)72-23-13-20-45(72)53(81)66-39(18-11-21-64-55(60)61)49(77)68-41(47(59)75)30-46(58)74/h5-10,14-17,25-26,31,38-45,73H,11-13,18-24,27-30,57H2,1-4H3,(H2,58,74)(H2,59,75)(H,66,81)(H,67,79)(H,68,77)(H,69,76)(H,70,80)(H,71,78)(H4,60,61,64)(H4,62,63,65)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
Affinity DataIC50: 4.30nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291716(CHEMBL4161902)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C60H82N16O10/c1-35(2)29-45(73-56(84)48(32-38-17-8-5-9-18-38)75-54(82)46(69-36(3)77)33-39-24-25-40-19-10-11-20-41(40)30-39)53(81)74-47(31-37-15-6-4-7-16-37)55(83)71-43(22-13-27-68-60(65)66)58(86)76-28-14-23-49(76)57(85)70-42(21-12-26-67-59(63)64)52(80)72-44(51(62)79)34-50(61)78/h4-11,15-20,24-25,30,35,42-49H,12-14,21-23,26-29,31-34H2,1-3H3,(H2,61,78)(H2,62,79)(H,69,77)(H,70,85)(H,71,83)(H,72,80)(H,73,84)(H,74,81)(H,75,82)(H4,63,64,67)(H4,65,66,68)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
Affinity DataIC50: 5.60nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291717(CHEMBL4164026)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C58H80N16O9/c1-34(2)28-44(72-54(81)45(31-35-14-5-3-6-15-35)71-50(77)40(59)30-37-23-24-38-18-9-10-19-39(38)29-37)52(79)73-46(32-36-16-7-4-8-17-36)53(80)69-42(21-12-26-67-58(64)65)56(83)74-27-13-22-47(74)55(82)68-41(20-11-25-66-57(62)63)51(78)70-43(49(61)76)33-48(60)75/h3-10,14-19,23-24,29,34,40-47H,11-13,20-22,25-28,30-33,59H2,1-2H3,(H2,60,75)(H2,61,76)(H,68,82)(H,69,80)(H,70,78)(H,71,77)(H,72,81)(H,73,79)(H4,62,63,66)(H4,64,65,67)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
Affinity DataIC50: 9.90nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291671(CHEMBL4166325)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C61H82N16O11/c1-35(2)28-46(74-57(86)49(30-38-16-8-5-9-17-38)76-55(84)47(70-36(3)78)31-39-22-24-42(79)25-23-39)54(83)75-48(29-37-14-6-4-7-15-37)56(85)72-44(21-13-27-69-61(66)67)59(88)77-34-41-19-11-10-18-40(41)32-50(77)58(87)71-43(20-12-26-68-60(64)65)53(82)73-45(52(63)81)33-51(62)80/h4-11,14-19,22-25,35,43-50,79H,12-13,20-21,26-34H2,1-3H3,(H2,62,80)(H2,63,81)(H,70,78)(H,71,87)(H,72,85)(H,73,82)(H,74,86)(H,75,83)(H,76,84)(H4,64,65,68)(H4,66,67,69)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
Affinity DataIC50: 11nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291718(CHEMBL4174679)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C57H80N16O11/c1-32(2)25-42(69-52(81)44(27-35-15-8-5-9-16-35)71-54(83)46-29-36-20-21-38(75)28-37(36)31-73(46)33(3)74)50(79)70-43(26-34-13-6-4-7-14-34)51(80)67-40(18-11-23-65-57(62)63)55(84)72-24-12-19-45(72)53(82)66-39(17-10-22-64-56(60)61)49(78)68-41(48(59)77)30-47(58)76/h4-9,13-16,20-21,28,32,39-46,75H,10-12,17-19,22-27,29-31H2,1-3H3,(H2,58,76)(H2,59,77)(H,66,82)(H,67,80)(H,68,78)(H,69,81)(H,70,79)(H,71,83)(H4,60,61,64)(H4,62,63,65)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
Affinity DataIC50: 12nMAssay Description:Inhibition of ADP-mediated platelet aggregation in human gel-filtered plateletsMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291672(CHEMBL4173583)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C59H80N16O10/c1-34(2)27-45(73-55(83)46(29-35-13-5-3-6-14-35)72-51(79)41(60)28-37-21-23-40(76)24-22-37)53(81)74-47(30-36-15-7-4-8-16-36)54(82)70-43(20-12-26-68-59(65)66)57(85)75-33-39-18-10-9-17-38(39)31-48(75)56(84)69-42(19-11-25-67-58(63)64)52(80)71-44(50(62)78)32-49(61)77/h3-10,13-18,21-24,34,41-48,76H,11-12,19-20,25-33,60H2,1-2H3,(H2,61,77)(H2,62,78)(H,69,84)(H,70,82)(H,71,80)(H,72,79)(H,73,83)(H,74,81)(H4,63,64,67)(H4,65,66,68)/t41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
Affinity DataIC50: 13nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291710(CHEMBL4176945)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C58H84N16O10/c1-33(2)27-43(72-54(82)44(29-34-13-5-3-6-14-34)71-50(78)39(59)28-36-21-23-38(75)24-22-36)52(80)73-45(30-35-15-7-4-8-16-35)53(81)69-41(19-12-26-67-58(64)65)56(84)74-46-20-10-9-17-37(46)31-47(74)55(83)68-40(18-11-25-66-57(62)63)51(79)70-42(49(61)77)32-48(60)76/h3-8,13-16,21-24,33,37,39-47,75H,9-12,17-20,25-32,59H2,1-2H3,(H2,60,76)(H2,61,77)(H,68,83)(H,69,81)(H,70,79)(H,71,78)(H,72,82)(H,73,80)(H4,62,63,66)(H4,64,65,67)/t37-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
Affinity DataIC50: 13nMAssay Description:In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291711(CHEMBL4169739)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C60H86N16O11/c1-34(2)28-44(73-56(85)47(30-37-16-8-5-9-17-37)75-54(83)45(69-35(3)77)31-38-22-24-40(78)25-23-38)53(82)74-46(29-36-14-6-4-7-15-36)55(84)71-42(20-13-27-68-60(65)66)58(87)76-48-21-11-10-18-39(48)32-49(76)57(86)70-41(19-12-26-67-59(63)64)52(81)72-43(51(62)80)33-50(61)79/h4-9,14-17,22-25,34,39,41-49,78H,10-13,18-21,26-33H2,1-3H3,(H2,61,79)(H2,62,80)(H,69,77)(H,70,86)(H,71,84)(H,72,81)(H,73,85)(H,74,82)(H,75,83)(H4,63,64,67)(H4,65,66,68)/t39-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
Affinity DataIC50: 14nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50336637(CHEMBL4159554)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(=O)NCc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H86N16O11/c1-38(2)32-48(76-59(88)51(34-41-18-9-5-10-19-41)78-57(86)49(72-39(3)80)35-42-25-27-44(81)28-26-42)56(85)77-50(33-40-16-7-4-8-17-40)58(87)74-46(23-14-30-70-63(67)68)61(90)79-31-15-24-52(79)60(89)73-45(22-13-29-69-62(65)66)55(84)75-47(54(64)83)36-53(82)71-37-43-20-11-6-12-21-43/h4-12,16-21,25-28,38,45-52,81H,13-15,22-24,29-37H2,1-3H3,(H2,64,83)(H,71,82)(H,72,80)(H,73,89)(H,74,87)(H,75,84)(H,76,88)(H,77,85)(H,78,86)(H4,65,66,69)(H4,67,68,70)/t45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
Affinity DataIC50: 19nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting methodMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291719(CHEMBL4165538)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C55H78N16O10/c1-31(2)24-41(68-51(79)43(26-33-14-7-4-8-15-33)69-48(76)40-28-34-19-20-36(72)27-35(34)30-64-40)49(77)70-42(25-32-12-5-3-6-13-32)50(78)66-38(17-10-22-63-55(60)61)53(81)71-23-11-18-44(71)52(80)65-37(16-9-21-62-54(58)59)47(75)67-39(46(57)74)29-45(56)73/h3-8,12-15,19-20,27,31,37-44,64,72H,9-11,16-18,21-26,28-30H2,1-2H3,(H2,56,73)(H2,57,74)(H,65,80)(H,66,78)(H,67,75)(H,68,79)(H,69,76)(H,70,77)(H4,58,59,62)(H4,60,61,63)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
Affinity DataIC50: 21nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50336619(CHEMBL4167803)
Show SMILES CNC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C57H82N16O11/c1-33(2)28-42(70-53(82)45(30-36-16-9-6-10-17-36)72-51(80)43(66-34(3)74)31-37-21-23-38(75)24-22-37)50(79)71-44(29-35-14-7-5-8-15-35)52(81)68-40(19-12-26-65-57(61)62)55(84)73-27-13-20-46(73)54(83)67-39(18-11-25-64-56(59)60)49(78)69-41(48(58)77)32-47(76)63-4/h5-10,14-17,21-24,33,39-46,75H,11-13,18-20,25-32H2,1-4H3,(H2,58,77)(H,63,76)(H,66,74)(H,67,83)(H,68,81)(H,69,78)(H,70,82)(H,71,79)(H,72,80)(H4,59,60,64)(H4,61,62,65)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
Affinity DataIC50: 29nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting methodMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50336622(CHEMBL4164957)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C63H86N16O11/c1-38(2)32-47(75-59(88)50(34-41-18-9-5-10-19-41)77-57(86)48(72-39(3)80)35-42-25-27-44(81)28-26-42)56(85)76-49(33-40-16-7-4-8-17-40)58(87)74-46(23-14-30-70-63(67)68)61(90)79-31-15-24-52(79)60(89)73-45(22-13-29-69-62(65)66)55(84)78-51(36-53(64)82)54(83)71-37-43-20-11-6-12-21-43/h4-12,16-21,25-28,38,45-52,81H,13-15,22-24,29-37H2,1-3H3,(H2,64,82)(H,71,83)(H,72,80)(H,73,89)(H,74,87)(H,75,88)(H,76,85)(H,77,86)(H,78,84)(H4,65,66,69)(H4,67,68,70)/t45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
Affinity DataIC50: 29nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting methodMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291701(CHEMBL4165337)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C60H82N16O11/c1-34(2)29-45(73-55(84)47(30-36-13-5-4-6-14-36)74-54(83)46(69-35(3)77)31-37-22-24-40(78)25-23-37)53(82)75-48(32-39-17-9-16-38-15-7-8-18-41(38)39)56(85)71-43(20-11-27-68-60(65)66)58(87)76-28-12-21-49(76)57(86)70-42(19-10-26-67-59(63)64)52(81)72-44(51(62)80)33-50(61)79/h4-9,13-18,22-25,34,42-49,78H,10-12,19-21,26-33H2,1-3H3,(H2,61,79)(H2,62,80)(H,69,77)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,82)(H4,63,64,67)(H4,65,66,68)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
Affinity DataIC50: 39nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50336023(CHEMBL4162351)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NC1(CCc2ccccc2C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C58H82N16O11/c1-33(2)28-43(70-51(81)45(29-35-12-5-4-6-13-35)71-50(80)44(67-34(3)75)30-36-19-21-39(76)22-20-36)52(82)73-58(24-23-37-14-7-8-15-38(37)32-58)55(85)72-41(17-10-26-66-57(63)64)54(84)74-27-11-18-46(74)53(83)68-40(16-9-25-65-56(61)62)49(79)69-42(48(60)78)31-47(59)77/h4-8,12-15,19-22,33,40-46,76H,9-11,16-18,23-32H2,1-3H3,(H2,59,77)(H2,60,78)(H,67,75)(H,68,83)(H,69,79)(H,70,81)(H,71,80)(H,72,85)(H,73,82)(H4,61,62,65)(H4,63,64,66)/t40-,41-,42-,43-,44-,45-,46-,58?/m0/s1
Affinity DataIC50: 40nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting methodMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50049422(CHEMBL3315335)
Show SMILES CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C39H70N12O8/c1-22(2)18-27(46-32(53)15-14-24-10-6-5-7-11-24)35(56)49-28(19-23(3)4)36(57)50-29(21-40)38(59)51-17-9-13-30(51)37(58)47-25(12-8-16-45-39(43)44)34(55)48-26(33(42)54)20-31(41)52/h22-30H,5-21,40H2,1-4H3,(H2,41,52)(H2,42,54)(H,46,53)(H,47,58)(H,48,55)(H,49,56)(H,50,57)(H4,43,44,45)/t25-,26-,27-,28-,29-,30-/m0/s1
Affinity DataIC50: 44nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50336620(CHEMBL4173224)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C54H74N14O11/c1-30(2)22-39(63-49(75)41(24-33-14-8-5-9-15-33)65-52(78)44-26-34-18-19-36(70)25-35(34)29-68(44)31(3)69)48(74)64-40(23-32-12-6-4-7-13-32)50(76)66-42(28-55)53(79)67-21-11-17-43(67)51(77)61-37(16-10-20-60-54(58)59)47(73)62-38(46(57)72)27-45(56)71/h4-9,12-15,18-19,25,30,37-44,70H,10-11,16-17,20-24,26-29,55H2,1-3H3,(H2,56,71)(H2,57,72)(H,61,77)(H,62,73)(H,63,75)(H,64,74)(H,65,78)(H,66,76)(H4,58,59,60)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
Affinity DataIC50: 72nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting methodMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50337898(CHEMBL4161479)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)CC(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C57H82N16O11/c1-33(2)27-42(70-53(82)45(29-36-15-8-5-9-16-36)72-51(80)43(66-34(3)74)30-37-20-22-39(75)23-21-37)50(79)71-44(28-35-13-6-4-7-14-35)52(81)69-40(18-11-25-65-57(62)63)55(84)73-26-12-19-46(73)54(83)67-38(17-10-24-64-56(60)61)31-48(77)68-41(49(59)78)32-47(58)76/h4-9,13-16,20-23,33,38,40-46,75H,10-12,17-19,24-32H2,1-3H3,(H2,58,76)(H2,59,78)(H,66,74)(H,67,83)(H,68,77)(H,69,81)(H,70,82)(H,71,79)(H,72,80)(H4,60,61,64)(H4,62,63,65)/t38-,40-,41-,42-,43-,44-,45-,46-/m0/s1
Affinity DataIC50: 117nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting methodMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291699(CHEMBL4175546)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C60H82N16O11/c1-34(2)28-45(73-56(85)47(30-36-12-5-4-6-13-36)74-54(83)46(69-35(3)77)31-37-20-23-41(78)24-21-37)53(82)75-48(32-38-19-22-39-14-7-8-15-40(39)29-38)55(84)71-43(17-10-26-68-60(65)66)58(87)76-27-11-18-49(76)57(86)70-42(16-9-25-67-59(63)64)52(81)72-44(51(62)80)33-50(61)79/h4-8,12-15,19-24,29,34,42-49,78H,9-11,16-18,25-28,30-33H2,1-3H3,(H2,61,79)(H2,62,80)(H,69,77)(H,70,86)(H,71,84)(H,72,81)(H,73,85)(H,74,83)(H,75,82)(H4,63,64,67)(H4,65,66,68)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
Affinity DataIC50: 195nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291673(CHEMBL4162868)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C57H82N16O12/c1-33(2)28-45(71-52(82)44(29-36-10-5-4-6-11-36)70-51(81)43(66-34(3)74)30-37-17-21-39(76)22-18-37)54(84)72(27-23-35-15-19-38(75)20-16-35)32-48(78)67-41(13-8-25-65-57(62)63)55(85)73-26-9-14-46(73)53(83)68-40(12-7-24-64-56(60)61)50(80)69-42(49(59)79)31-47(58)77/h4-6,10-11,15-22,33,40-46,75-76H,7-9,12-14,23-32H2,1-3H3,(H2,58,77)(H2,59,79)(H,66,74)(H,67,78)(H,68,83)(H,69,80)(H,70,81)(H,71,82)(H4,60,61,64)(H4,62,63,65)/t40-,41-,42-,43-,44-,45-,46-/m0/s1
Affinity DataIC50: 207nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291691(CHEMBL4161501)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C56H84N16O11/c1-31(2)26-42(70-50(79)41(27-33-12-5-4-6-13-33)69-49(78)40(65-32(3)73)28-34-19-21-36(74)22-20-34)54(83)72-43-17-8-7-14-35(43)29-45(72)52(81)67-38(16-10-24-64-56(61)62)53(82)71-25-11-18-44(71)51(80)66-37(15-9-23-63-55(59)60)48(77)68-39(47(58)76)30-46(57)75/h4-6,12-13,19-22,31,35,37-45,74H,7-11,14-18,23-30H2,1-3H3,(H2,57,75)(H2,58,76)(H,65,73)(H,66,80)(H,67,81)(H,68,77)(H,69,78)(H,70,79)(H4,59,60,63)(H4,61,62,64)/t35-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
Affinity DataIC50: 253nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291676(CHEMBL4176206)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C55H80N16O10/c1-33(2)28-43(69-50(78)42(30-35-14-7-4-8-15-35)68-48(76)38(56)29-36-19-21-37(72)22-20-36)52(80)70(27-23-34-12-5-3-6-13-34)32-46(74)65-40(17-10-25-64-55(61)62)53(81)71-26-11-18-44(71)51(79)66-39(16-9-24-63-54(59)60)49(77)67-41(47(58)75)31-45(57)73/h3-8,12-15,19-22,33,38-44,72H,9-11,16-18,23-32,56H2,1-2H3,(H2,57,73)(H2,58,75)(H,65,74)(H,66,79)(H,67,77)(H,68,76)(H,69,78)(H4,59,60,63)(H4,61,62,64)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
Affinity DataIC50: 262nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50338535(CHEMBL4162728)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(C)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C61H82N16O11/c1-34(2)26-46(73-56(85)47(28-36-12-5-4-6-13-36)75-58(87)50-31-40-21-22-42(79)30-41(40)33-77(50)35(3)78)54(83)74-48(29-37-19-20-38-14-7-8-15-39(38)27-37)55(84)71-44(17-10-24-69-61(66)67)59(88)76-25-11-18-49(76)57(86)70-43(16-9-23-68-60(64)65)53(82)72-45(52(63)81)32-51(62)80/h4-8,12-15,19-22,27,30,34,43-50,79H,9-11,16-18,23-26,28-29,31-33H2,1-3H3,(H2,62,80)(H2,63,81)(H,70,86)(H,71,84)(H,72,82)(H,73,85)(H,74,83)(H,75,87)(H4,64,65,68)(H4,66,67,69)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
Affinity DataIC50: 302nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting methodMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291675(CHEMBL4169824)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C57H82N16O11/c1-34(2)29-45(71-52(81)44(30-37-15-8-5-9-16-37)70-51(80)43(66-35(3)74)31-38-20-22-39(75)23-21-38)54(83)72(28-24-36-13-6-4-7-14-36)33-48(77)67-41(18-11-26-65-57(62)63)55(84)73-27-12-19-46(73)53(82)68-40(17-10-25-64-56(60)61)50(79)69-42(49(59)78)32-47(58)76/h4-9,13-16,20-23,34,40-46,75H,10-12,17-19,24-33H2,1-3H3,(H2,58,76)(H2,59,78)(H,66,74)(H,67,77)(H,68,82)(H,69,79)(H,70,80)(H,71,81)(H4,60,61,64)(H4,62,63,65)/t40-,41-,42-,43-,44-,45-,46-/m0/s1
Affinity DataIC50: 316nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50336618(CHEMBL4175581)
Show SMILES CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O
Show InChI InChI=1S/C57H82N16O11/c1-33(2)28-41(69-53(82)44(30-36-16-9-6-10-17-36)71-51(80)42(66-34(3)74)31-37-21-23-38(75)24-22-37)50(79)70-43(29-35-14-7-5-8-15-35)52(81)68-40(19-12-26-65-57(61)62)55(84)73-27-13-20-46(73)54(83)67-39(18-11-25-64-56(59)60)49(78)72-45(32-47(58)76)48(77)63-4/h5-10,14-17,21-24,33,39-46,75H,11-13,18-20,25-32H2,1-4H3,(H2,58,76)(H,63,77)(H,66,74)(H,67,83)(H,68,81)(H,69,82)(H,70,79)(H,71,80)(H,72,78)(H4,59,60,64)(H4,61,62,65)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
Affinity DataIC50: 328nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting methodMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291731(CHEMBL4168753)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C57H80N16O12/c1-31(2)24-44(71-51(81)43(25-33-10-5-4-6-11-33)70-50(80)42(66-32(3)74)26-34-15-18-37(75)19-16-34)55(85)73-30-36-27-38(76)20-17-35(36)28-46(73)53(83)68-40(13-8-22-65-57(62)63)54(84)72-23-9-14-45(72)52(82)67-39(12-7-21-64-56(60)61)49(79)69-41(48(59)78)29-47(58)77/h4-6,10-11,15-20,27,31,39-46,75-76H,7-9,12-14,21-26,28-30H2,1-3H3,(H2,58,77)(H2,59,78)(H,66,74)(H,67,82)(H,68,83)(H,69,79)(H,70,80)(H,71,81)(H4,60,61,64)(H4,62,63,65)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
Affinity DataIC50: 331nMAssay Description:Inhibition of 10 uM ADP-induced human gel filtered platelet aggregation with 0.1 mg/mL human fibrinogenMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291709(CHEMBL4160825)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C58H80N16O10/c1-33(2)28-44(72-53(81)45(30-34-12-4-3-5-13-34)71-50(78)40(59)29-35-21-23-38(75)24-22-35)52(80)73-46(31-37-16-8-15-36-14-6-7-17-39(36)37)54(82)69-42(19-10-26-67-58(64)65)56(84)74-27-11-20-47(74)55(83)68-41(18-9-25-66-57(62)63)51(79)70-43(49(61)77)32-48(60)76/h3-8,12-17,21-24,33,40-47,75H,9-11,18-20,25-32,59H2,1-2H3,(H2,60,76)(H2,61,77)(H,68,83)(H,69,82)(H,70,79)(H,71,78)(H,72,81)(H,73,80)(H4,62,63,66)(H4,64,65,67)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
Affinity DataIC50: 371nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291700(CHEMBL4175953)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C58H80N16O10/c1-33(2)27-44(72-54(82)45(30-34-11-4-3-5-12-34)71-50(78)40(59)29-35-19-22-39(75)23-20-35)52(80)73-46(31-36-18-21-37-13-6-7-14-38(37)28-36)53(81)69-42(16-9-25-67-58(64)65)56(84)74-26-10-17-47(74)55(83)68-41(15-8-24-66-57(62)63)51(79)70-43(49(61)77)32-48(60)76/h3-7,11-14,18-23,28,33,40-47,75H,8-10,15-17,24-27,29-32,59H2,1-2H3,(H2,60,76)(H2,61,77)(H,68,83)(H,69,81)(H,70,79)(H,71,78)(H,72,82)(H,73,80)(H4,62,63,66)(H4,64,65,67)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
Affinity DataIC50: 424nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291674(CHEMBL4159176)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C55H80N16O11/c1-32(2)27-43(69-50(79)42(29-34-9-4-3-5-10-34)68-48(77)38(56)28-35-16-20-37(73)21-17-35)52(81)70(26-22-33-14-18-36(72)19-15-33)31-46(75)65-40(12-7-24-64-55(61)62)53(82)71-25-8-13-44(71)51(80)66-39(11-6-23-63-54(59)60)49(78)67-41(47(58)76)30-45(57)74/h3-5,9-10,14-21,32,38-44,72-73H,6-8,11-13,22-31,56H2,1-2H3,(H2,57,74)(H2,58,76)(H,65,75)(H,66,80)(H,67,78)(H,68,77)(H,69,79)(H4,59,60,63)(H4,61,62,64)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
Affinity DataIC50: 429nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50336638(CHEMBL4164987)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C58H82N16O11/c1-33(2)26-44(71-51(80)43(27-35-14-7-5-8-15-35)70-54(83)47-30-37-21-22-39(76)29-38(37)32-74(47)34(3)75)55(84)72(4)46(28-36-16-9-6-10-17-36)53(82)68-41(19-12-24-66-58(63)64)56(85)73-25-13-20-45(73)52(81)67-40(18-11-23-65-57(61)62)50(79)69-42(49(60)78)31-48(59)77/h5-10,14-17,21-22,29,33,40-47,76H,11-13,18-20,23-28,30-32H2,1-4H3,(H2,59,77)(H2,60,78)(H,67,81)(H,68,82)(H,69,79)(H,70,83)(H,71,80)(H4,61,62,65)(H4,63,64,66)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
Affinity DataIC50: 466nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting methodMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50336022(CHEMBL4171236)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(C)=O)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C58H82N16O12/c1-33(2)26-45(71-52(82)44(27-36-10-5-4-6-11-36)70-54(84)47-29-37-17-20-40(77)28-38(37)31-74(47)34(3)75)55(85)72(25-21-35-15-18-39(76)19-16-35)32-49(79)67-42(13-8-23-66-58(63)64)56(86)73-24-9-14-46(73)53(83)68-41(12-7-22-65-57(61)62)51(81)69-43(50(60)80)30-48(59)78/h4-6,10-11,15-20,28,33,41-47,76-77H,7-9,12-14,21-27,29-32H2,1-3H3,(H2,59,78)(H2,60,80)(H,67,79)(H,68,83)(H,69,81)(H,70,84)(H,71,82)(H4,61,62,65)(H4,63,64,66)/t41-,42-,43-,44-,45-,46-,47-/m0/s1
Affinity DataIC50: 599nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting methodMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291726(CHEMBL4164680)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C54H78N16O10/c1-31(2)26-40(68-50(78)41(28-32-12-5-3-6-13-32)67-46(74)36(55)27-34-19-21-35(71)22-20-34)48(76)69-42(29-33-14-7-4-8-15-33)49(77)65-38(17-10-24-63-54(60)61)52(80)70-25-11-18-43(70)51(79)64-37(16-9-23-62-53(58)59)47(75)66-39(45(57)73)30-44(56)72/h3-8,12-15,19-22,31,36-43,71H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,72)(H2,57,73)(H,64,79)(H,65,77)(H,66,75)(H,67,74)(H,68,78)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43+/m0/s1
Affinity DataIC50: 803nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291712(CHEMBL4169169)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C55H78N16O11/c1-30(2)23-42(69-49(78)41(25-31-9-4-3-5-10-31)68-47(76)37(56)24-32-14-17-35(72)18-15-32)53(82)71-29-34-26-36(73)19-16-33(34)27-44(71)51(80)66-39(12-7-21-64-55(61)62)52(81)70-22-8-13-43(70)50(79)65-38(11-6-20-63-54(59)60)48(77)67-40(46(58)75)28-45(57)74/h3-5,9-10,14-19,26,30,37-44,72-73H,6-8,11-13,20-25,27-29,56H2,1-2H3,(H2,57,74)(H2,58,75)(H,65,79)(H,66,80)(H,67,77)(H,68,76)(H,69,78)(H4,59,60,63)(H4,61,62,64)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
Affinity DataIC50: 1.01E+3nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
Ligand InfoPC sidSimilars
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291682(CHEMBL4171697)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccccc1
Show InChI InChI=1S/C56H80N16O11/c1-33(2)27-44(70-51(80)43(28-35-13-6-4-7-14-35)69-50(79)42(65-34(3)73)29-36-20-22-38(74)23-21-36)53(82)71(31-37-15-8-5-9-16-37)32-47(76)66-40(18-11-25-64-56(61)62)54(83)72-26-12-19-45(72)52(81)67-39(17-10-24-63-55(59)60)49(78)68-41(48(58)77)30-46(57)75/h4-9,13-16,20-23,33,39-45,74H,10-12,17-19,24-32H2,1-3H3,(H2,57,75)(H2,58,77)(H,65,73)(H,66,76)(H,67,81)(H,68,78)(H,69,79)(H,70,80)(H4,59,60,63)(H4,61,62,64)/t39-,40-,41-,42-,43-,44-,45-/m0/s1
Affinity DataIC50: 1.02E+3nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291732(CHEMBL4164449)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C56H80N16O11/c1-32(2)27-41(69-52(81)44(29-35-15-8-5-9-16-35)71-50(79)42(65-33(3)73)30-36-20-22-37(74)23-21-36)49(78)70-43(28-34-13-6-4-7-14-34)51(80)67-39(18-11-25-64-56(61)62)54(83)72-26-12-19-45(72)53(82)66-38(17-10-24-63-55(59)60)48(77)68-40(47(58)76)31-46(57)75/h4-9,13-16,20-23,32,38-45,74H,10-12,17-19,24-31H2,1-3H3,(H2,57,75)(H2,58,76)(H,65,73)(H,66,82)(H,67,80)(H,68,77)(H,69,81)(H,70,78)(H,71,79)(H4,59,60,63)(H4,61,62,64)/t38-,39-,40-,41+,42-,43-,44-,45+/m0/s1
Affinity DataIC50: 1.09E+3nMAssay Description:In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...More data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291725(CHEMBL4161037)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C56H80N16O11/c1-32(2)27-41(69-52(81)44(29-35-15-8-5-9-16-35)71-50(79)42(65-33(3)73)30-36-20-22-37(74)23-21-36)49(78)70-43(28-34-13-6-4-7-14-34)51(80)67-39(18-11-25-64-56(61)62)54(83)72-26-12-19-45(72)53(82)66-38(17-10-24-63-55(59)60)48(77)68-40(47(58)76)31-46(57)75/h4-9,13-16,20-23,32,38-45,74H,10-12,17-19,24-31H2,1-3H3,(H2,57,75)(H2,58,76)(H,65,73)(H,66,82)(H,67,80)(H,68,77)(H,69,81)(H,70,78)(H,71,79)(H4,59,60,63)(H4,61,62,64)/t38-,39-,40-,41-,42-,43-,44-,45+/m0/s1
Affinity DataIC50: 1.37E+3nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291685(CHEMBL4169433)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccccc1
Show InChI InChI=1S/C54H78N16O10/c1-32(2)26-42(68-49(77)41(28-33-12-5-3-6-13-33)67-47(75)37(55)27-34-19-21-36(71)22-20-34)51(79)69(30-35-14-7-4-8-15-35)31-45(73)64-39(17-10-24-63-54(60)61)52(80)70-25-11-18-43(70)50(78)65-38(16-9-23-62-53(58)59)48(76)66-40(46(57)74)29-44(56)72/h3-8,12-15,19-22,32,37-43,71H,9-11,16-18,23-31,55H2,1-2H3,(H2,56,72)(H2,57,74)(H,64,73)(H,65,78)(H,66,76)(H,67,75)(H,68,77)(H4,58,59,62)(H4,60,61,63)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
Affinity DataIC50: 1.40E+3nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291694(CHEMBL4172829)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C54H82N16O10/c1-30(2)25-40(68-48(76)39(27-31-11-4-3-5-12-31)67-46(74)35(55)26-32-18-20-34(71)21-19-32)52(80)70-41-16-7-6-13-33(41)28-43(70)50(78)65-37(15-9-23-63-54(60)61)51(79)69-24-10-17-42(69)49(77)64-36(14-8-22-62-53(58)59)47(75)66-38(45(57)73)29-44(56)72/h3-5,11-12,18-21,30,33,35-43,71H,6-10,13-17,22-29,55H2,1-2H3,(H2,56,72)(H2,57,73)(H,64,77)(H,65,78)(H,66,75)(H,67,74)(H,68,76)(H4,58,59,62)(H4,60,61,63)/t33-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
Affinity DataIC50: 1.55E+3nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291698(CHEMBL4167677)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C56H82N16O11/c1-30(2)23-42(70-51(80)43(27-33-11-6-5-7-12-33)69-48(77)38(57)26-34-16-18-35(73)19-17-34)50(79)71-44(28-37-31(3)24-36(74)25-32(37)4)52(81)67-40(14-9-21-65-56(62)63)54(83)72-22-10-15-45(72)53(82)66-39(13-8-20-64-55(60)61)49(78)68-41(47(59)76)29-46(58)75/h5-7,11-12,16-19,24-25,30,38-45,73-74H,8-10,13-15,20-23,26-29,57H2,1-4H3,(H2,58,75)(H2,59,76)(H,66,82)(H,67,81)(H,68,78)(H,69,77)(H,70,80)(H,71,79)(H4,60,61,64)(H4,62,63,65)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
Affinity DataIC50: 1.65E+3nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291677(CHEMBL4168351)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C56H80N16O12/c1-32(2)26-44(70-51(81)43(27-34-10-5-4-6-11-34)69-50(80)42(65-33(3)73)28-35-15-19-37(74)20-16-35)53(83)71(30-36-17-21-38(75)22-18-36)31-47(77)66-40(13-8-24-64-56(61)62)54(84)72-25-9-14-45(72)52(82)67-39(12-7-23-63-55(59)60)49(79)68-41(48(58)78)29-46(57)76/h4-6,10-11,15-22,32,39-45,74-75H,7-9,12-14,23-31H2,1-3H3,(H2,57,76)(H2,58,78)(H,65,73)(H,66,77)(H,67,82)(H,68,79)(H,69,80)(H,70,81)(H4,59,60,63)(H4,61,62,64)/t39-,40-,41-,42-,43-,44-,45-/m0/s1
Affinity DataIC50: 1.81E+3nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291696(CHEMBL4164922)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C58H84N16O12/c1-31(2)24-43(71-53(83)45(27-35-12-7-6-8-13-35)72-52(82)44(67-34(5)75)28-36-17-19-37(76)20-18-36)51(81)73-46(29-39-32(3)25-38(77)26-33(39)4)54(84)69-41(15-10-22-66-58(63)64)56(86)74-23-11-16-47(74)55(85)68-40(14-9-21-65-57(61)62)50(80)70-42(49(60)79)30-48(59)78/h6-8,12-13,17-20,25-26,31,40-47,76-77H,9-11,14-16,21-24,27-30H2,1-5H3,(H2,59,78)(H2,60,79)(H,67,75)(H,68,85)(H,69,84)(H,70,80)(H,71,83)(H,72,82)(H,73,81)(H4,61,62,65)(H4,63,64,66)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
Affinity DataIC50: 1.86E+3nMAssay Description:Compound was tested for inhibition of specific [3H]Ins(1,4,5)P3 binding to Inositol 1,4,5-trisphosphate receptor in rat cerebellar membranes.More data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291678(CHEMBL4161095)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H78N16O11/c1-31(2)25-42(68-49(78)41(27-32-9-4-3-5-10-32)67-47(76)37(55)26-33-14-18-35(71)19-15-33)51(80)69(29-34-16-20-36(72)21-17-34)30-45(74)64-39(12-7-23-63-54(60)61)52(81)70-24-8-13-43(70)50(79)65-38(11-6-22-62-53(58)59)48(77)66-40(46(57)75)28-44(56)73/h3-5,9-10,14-21,31,37-43,71-72H,6-8,11-13,22-30,55H2,1-2H3,(H2,56,73)(H2,57,75)(H,64,74)(H,65,79)(H,66,77)(H,67,76)(H,68,78)(H4,58,59,62)(H4,60,61,63)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
Affinity DataIC50: 1.96E+3nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50336621(CHEMBL4170275)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(C)=O)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C60H88N16O12/c1-31(2)22-45(73-54(84)46(27-37-14-9-8-10-15-37)74-55(85)47(69-36(7)77)28-40-32(3)23-38(78)24-33(40)4)53(83)75-48(29-41-34(5)25-39(79)26-35(41)6)56(86)71-43(17-12-20-68-60(65)66)58(88)76-21-13-18-49(76)57(87)70-42(16-11-19-67-59(63)64)52(82)72-44(51(62)81)30-50(61)80/h8-10,14-15,23-26,31,42-49,78-79H,11-13,16-22,27-30H2,1-7H3,(H2,61,80)(H2,62,81)(H,69,77)(H,70,87)(H,71,86)(H,72,82)(H,73,84)(H,74,85)(H,75,83)(H4,63,64,67)(H4,65,66,68)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
Affinity DataIC50: 2.87E+3nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting methodMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291724(CHEMBL4168961)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C54H78N16O10/c1-31(2)26-40(68-50(78)41(28-32-12-5-3-6-13-32)67-46(74)36(55)27-34-19-21-35(71)22-20-34)48(76)69-42(29-33-14-7-4-8-15-33)49(77)65-38(17-10-24-63-54(60)61)52(80)70-25-11-18-43(70)51(79)64-37(16-9-23-62-53(58)59)47(75)66-39(45(57)73)30-44(56)72/h3-8,12-15,19-22,31,36-43,71H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,72)(H2,57,73)(H,64,79)(H,65,77)(H,66,75)(H,67,74)(H,68,78)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39-,40+,41-,42-,43+/m0/s1
Affinity DataIC50: 6.13E+3nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50291720(CHEMBL4176146)
Show SMILES CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C39H70N12O8/c1-22(2)18-27(46-32(53)15-14-24-10-6-5-7-11-24)35(56)49-28(19-23(3)4)36(57)50-29(21-40)38(59)51-17-9-13-30(51)37(58)47-25(12-8-16-45-39(43)44)34(55)48-26(33(42)54)20-31(41)52/h22-30H,5-21,40H2,1-4H3,(H2,41,52)(H2,42,54)(H,46,53)(H,47,58)(H,48,55)(H,49,56)(H,50,57)(H4,43,44,45)/t25-,26-,27-,28-,29-,30+/m0/s1
Affinity DataIC50: 1.07E+4nMAssay Description:Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation countingMore data for this Ligand-Target Pair
TargetNeuromedin-U receptor 2(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50049421(CHEMBL3315349)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C141H203N41O38/c1-74(2)61-94(125(208)173-98(65-80-33-17-9-18-34-80)128(211)169-92(40-24-58-158-141(153)154)136(219)181-59-25-41-104(181)133(216)168-86(38-22-56-156-139(149)150)118(201)170-93(114(146)197)68-108(145)189)171-129(212)99(66-81-35-19-10-20-36-81)174-126(209)95(67-82-43-45-83(186)46-44-82)161-109(190)70-159-117(200)85(37-21-55-155-138(147)148)163-132(215)102(72-184)178-121(204)88(47-51-106(143)187)167-131(214)101(71-183)177-115(198)76(5)160-124(207)96(63-78-29-13-7-14-30-78)175-134(217)105-42-26-60-182(105)137(220)103(73-185)179-122(205)89(48-52-107(144)188)165-127(210)97(64-79-31-15-8-16-32-79)172-120(203)91(50-54-111(193)194)164-119(202)90(49-53-110(191)192)166-130(213)100(69-112(195)196)176-135(218)113(75(3)4)180-123(206)87(39-23-57-157-140(151)152)162-116(199)84(142)62-77-27-11-6-12-28-77/h6-20,27-36,43-46,74-76,84-105,113,183-186H,21-26,37-42,47-73,142H2,1-5H3,(H2,143,187)(H2,144,188)(H2,145,189)(H2,146,197)(H,159,200)(H,160,207)(H,161,190)(H,162,199)(H,163,215)(H,164,202)(H,165,210)(H,166,213)(H,167,214)(H,168,216)(H,169,211)(H,170,201)(H,171,212)(H,172,203)(H,173,208)(H,174,209)(H,175,217)(H,176,218)(H,177,198)(H,178,204)(H,179,205)(H,180,206)(H,191,192)(H,193,194)(H,195,196)(H4,147,148,155)(H4,149,150,156)(H4,151,152,157)(H4,153,154,158)/t76-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,113-/m0/s1
Affinity DataEC50:  2.5nMAssay Description:Agonist activity at human NMUR2 expressed in CHO cells by calcium mobilization assayMore data for this Ligand-Target Pair
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