Found 125 hits of ec50 data for polymerid = 50006785 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50085928
(CHEMBL3425593)Show SMILES NC(=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](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(N)=O |r| Show InChI InChI=1S/C47H62FN15O8S/c48-28-15-13-26(14-16-28)21-35(62-43(69)36(58-39(65)23-29-7-6-20-72-29)22-27-25-57-31-9-2-1-8-30(27)31)42(68)60-33(11-4-18-56-47(53)54)45(71)63-19-5-12-37(63)44(70)59-32(10-3-17-55-46(51)52)41(67)61-34(40(50)66)24-38(49)64/h1-2,6-9,13-16,20,25,32-37,57H,3-5,10-12,17-19,21-24H2,(H2,49,64)(H2,50,66)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,69)(H4,51,52,55)(H4,53,54,56)/t32-,33-,34-,35-,36-,37-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0830 | n/a | n/a | n/a | n/a |
Tokyo University of Pharmacy and Life Sciences
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as intracellular calcium flux at by Fluo-4 AM dye based fluorometric imaging method |
ACS Med Chem Lett 6: 302-7 (2015)
Article DOI: 10.1021/ml500494j BindingDB Entry DOI: 10.7270/Q2TM7CVP |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50049421
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a |
Tokyo University of Pharmacy and Life Sciences
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as intracellular calcium flux at by Fluo-4 AM dye based fluorometric imaging method |
ACS Med Chem Lett 6: 302-7 (2015)
Article DOI: 10.1021/ml500494j BindingDB Entry DOI: 10.7270/Q2TM7CVP |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50239755
(CHEMBL4069151)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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a |
Tokyo University of Pharmacy and Life Sciences
Curated by ChEMBL
| Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine |
J Med Chem 60: 5228-5234 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00694 BindingDB Entry DOI: 10.7270/Q2S46V4J |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50239756
(CHEMBL4105671)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C46H59N13O7S/c1-46(24-28-26-54-33-14-5-3-12-31(28)33,58-39(61)36(55-38(60)23-29-10-9-21-67-29)22-27-25-53-32-13-4-2-11-30(27)32)43(66)57-34(15-6-18-51-44(47)48)41(63)59-20-8-17-37(59)40(62)56-35(42(64)65)16-7-19-52-45(49)50/h2-5,9-14,21,25-26,34-37,53-54H,6-8,15-20,22-24H2,1H3,(H,55,60)(H,56,62)(H,57,66)(H,58,61)(H,64,65)(H4,47,48,51)(H4,49,50,52)/t34-,35-,36-,37-,46-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.25 | n/a | n/a | n/a | n/a |
Tokyo University of Pharmacy and Life Sciences
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux after 18 hrs by Fluo-4 AM dye based FLIPR assay |
J Med Chem 60: 5228-5234 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00694 BindingDB Entry DOI: 10.7270/Q2S46V4J |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238694
(CHEMBL4098010)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)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 |r| Show InChI InChI=1S/C56H81N17O11/c1-32(2)46(72-51(81)42(29-34-14-7-4-8-15-34)70-49(79)40(66-45(76)23-24-57)30-35-19-21-36(74)22-20-35)53(83)71-41(28-33-12-5-3-6-13-33)50(80)68-38(17-10-26-65-56(62)63)54(84)73-27-11-18-43(73)52(82)67-37(16-9-25-64-55(60)61)48(78)69-39(47(59)77)31-44(58)75/h3-8,12-15,19-22,32,37-43,46,74H,9-11,16-18,23-31,57H2,1-2H3,(H2,58,75)(H2,59,77)(H,66,76)(H,67,82)(H,68,80)(H,69,78)(H,70,79)(H,71,83)(H,72,81)(H4,60,61,64)(H4,62,63,65)/t37-,38-,39-,40-,41-,42-,43-,46-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.310 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238690
(CHEMBL4068681)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)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 |r| Show InChI InChI=1S/C60H88N18O11/c1-36(2)30-44(74-56(87)47(32-38-14-7-4-8-15-38)76-54(85)45(33-39-19-21-40(79)22-20-39)70-50(81)35-77-28-25-67-26-29-77)53(84)75-46(31-37-12-5-3-6-13-37)55(86)72-42(17-10-24-69-60(65)66)58(89)78-27-11-18-48(78)57(88)71-41(16-9-23-68-59(63)64)52(83)73-43(51(62)82)34-49(61)80/h3-8,12-15,19-22,36,41-48,67,79H,9-11,16-18,23-35H2,1-2H3,(H2,61,80)(H2,62,82)(H,70,81)(H,71,88)(H,72,86)(H,73,83)(H,74,87)(H,75,84)(H,76,85)(H4,63,64,68)(H4,65,66,69)/t41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.320 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238691
(CHEMBL4088263)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN)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 |r| Show InChI InChI=1S/C57H83N17O10/c1-34(2)29-41(71-53(82)44(32-37-19-10-5-11-20-37)73-51(80)42(67-47(76)24-25-58)30-35-15-6-3-7-16-35)50(79)72-43(31-36-17-8-4-9-18-36)52(81)69-39(22-13-27-66-57(63)64)55(84)74-28-14-23-45(74)54(83)68-38(21-12-26-65-56(61)62)49(78)70-40(48(60)77)33-46(59)75/h3-11,15-20,34,38-45H,12-14,21-33,58H2,1-2H3,(H2,59,75)(H2,60,77)(H,67,76)(H,68,83)(H,69,81)(H,70,78)(H,71,82)(H,72,79)(H,73,80)(H4,61,62,65)(H4,63,64,66)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.410 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50049421
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a |
Tokyo University of Pharmacy and Life Sciences
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells by calcium mobilization assay |
J Med Chem 57: 6583-93 (2014)
Article DOI: 10.1021/jm500599s BindingDB Entry DOI: 10.7270/Q2FQ9Z71 |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50049425
(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 |r| 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 | PDB
UniProtKB/SwissProt
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Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019 BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50291730
(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 |r| 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 | PDB
UniProtKB/SwissProt
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Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as IP3 accumulation after 60 mins in presence of myo-[2-3H(N)]inositol by scintill... |
ACS Med Chem Lett 9: 496-501 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00105 BindingDB Entry DOI: 10.7270/Q2FB55HS |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50291730
(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 |r| 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 | PDB
UniProtKB/SwissProt
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| PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | n/a | n/a | 0.510 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50049425
(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 |r| 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 | PDB
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Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50500779
(CHEMBL3758577)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)N)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 |r| Show InChI InChI=1S/C49H76N16O9/c1-28(2)24-34(62-43(71)36(64-46(74)49(3,4)56)26-30-16-9-6-10-17-30)41(69)63-35(25-29-14-7-5-8-15-29)42(70)60-32(19-12-22-58-48(54)55)45(73)65-23-13-20-37(65)44(72)59-31(18-11-21-57-47(52)53)40(68)61-33(39(51)67)27-38(50)66/h5-10,14-17,28,31-37H,11-13,18-27,56H2,1-4H3,(H2,50,66)(H2,51,67)(H,59,72)(H,60,70)(H,61,68)(H,62,71)(H,63,69)(H,64,74)(H4,52,53,57)(H4,54,55,58)/t31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 0.562 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human NMU1 expressed in HEK293 cells assessed as change in intracellular calcium flux by fluorescence assay |
Eur J Med Chem 101: 616-26 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.020 BindingDB Entry DOI: 10.7270/Q26H4MFF |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50500783
(CHEMBL3759452)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)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 |r| Show InChI InChI=1S/C47H71N15O9/c1-27(2)23-34(60-42(68)35(56-28(3)63)24-29-13-6-4-7-14-29)41(67)61-36(25-30-15-8-5-9-16-30)43(69)58-32(18-11-21-55-47(52)53)45(71)62-22-12-19-37(62)44(70)57-31(17-10-20-54-46(50)51)40(66)59-33(39(49)65)26-38(48)64/h4-9,13-16,27,31-37H,10-12,17-26H2,1-3H3,(H2,48,64)(H2,49,65)(H,56,63)(H,57,70)(H,58,69)(H,59,66)(H,60,68)(H,61,67)(H4,50,51,54)(H4,52,53,55)/t31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 0.575 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human NMU1 expressed in HEK293 cells assessed as change in intracellular calcium flux by fluorescence assay |
Eur J Med Chem 101: 616-26 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.020 BindingDB Entry DOI: 10.7270/Q26H4MFF |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238707
(CHEMBL4059530)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)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 |r| Show InChI InChI=1S/C56H82N18O11/c1-32(2)27-40(71-52(83)42(28-33-9-4-3-5-10-33)73-50(81)41(67-46(77)18-21-57)29-34-14-16-36(75)17-15-34)49(80)72-43(30-35-19-24-64-25-20-35)51(82)69-38(12-7-23-66-56(62)63)54(85)74-26-8-13-44(74)53(84)68-37(11-6-22-65-55(60)61)48(79)70-39(47(59)78)31-45(58)76/h3-5,9-10,14-17,19-20,24-25,32,37-44,75H,6-8,11-13,18,21-23,26-31,57H2,1-2H3,(H2,58,76)(H2,59,78)(H,67,77)(H,68,84)(H,69,82)(H,70,79)(H,71,83)(H,72,80)(H,73,81)(H4,60,61,65)(H4,62,63,66)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.730 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238689
(CHEMBL4073946)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C55H81N17O11/c1-31(2)26-40(70-53(83)43(28-34-14-8-5-9-15-34)72-51(81)41(66-45(75)22-23-56)29-35-18-20-36(73)21-19-35)50(80)71-42(27-33-12-6-4-7-13-33)52(82)68-37(16-10-24-63-54(59)60)48(78)65-32(3)47(77)67-38(17-11-25-64-55(61)62)49(79)69-39(46(58)76)30-44(57)74/h4-9,12-15,18-21,31-32,37-43,73H,10-11,16-17,22-30,56H2,1-3H3,(H2,57,74)(H2,58,76)(H,65,78)(H,66,75)(H,67,77)(H,68,82)(H,69,79)(H,70,83)(H,71,80)(H,72,81)(H4,59,60,63)(H4,61,62,64)/t32-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.770 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238704
(CHEMBL4095998)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)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 |r| Show InChI InChI=1S/C57H83N17O11/c1-33(2)28-41(71-53(83)44(30-35-14-7-4-8-15-35)73-51(81)42(67-47(77)23-24-58)31-36-19-21-37(75)22-20-36)50(80)72-43(29-34-12-5-3-6-13-34)52(82)69-39(17-10-26-66-57(63)64)55(85)74-27-11-18-45(74)54(84)68-38(16-9-25-65-56(61)62)49(79)70-40(48(60)78)32-46(59)76/h3-8,12-15,19-22,33,38-45,75H,9-11,16-18,23-32,58H2,1-2H3,(H2,59,76)(H2,60,78)(H,67,77)(H,68,84)(H,69,82)(H,70,79)(H,71,83)(H,72,80)(H,73,81)(H4,61,62,65)(H4,63,64,66)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.960 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238695
(CHEMBL4079986)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)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 |r| Show InChI InChI=1S/C54H85N17O11/c1-4-5-14-35(65-48(78)39(27-31(2)3)69-50(80)41(28-32-12-7-6-8-13-32)70-49(79)40(64-44(74)22-23-55)29-33-18-20-34(72)21-19-33)46(76)67-37(16-10-25-63-54(60)61)52(82)71-26-11-17-42(71)51(81)66-36(15-9-24-62-53(58)59)47(77)68-38(45(57)75)30-43(56)73/h6-8,12-13,18-21,31,35-42,72H,4-5,9-11,14-17,22-30,55H2,1-3H3,(H2,56,73)(H2,57,75)(H,64,74)(H,65,78)(H,66,81)(H,67,76)(H,68,77)(H,69,80)(H,70,79)(H4,58,59,62)(H4,60,61,63)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
UniProtKB/SwissProt
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Similars
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| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50049421
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human NMU1 expressed in HEK293 cells assessed as change in intracellular calcium flux by fluorescence assay |
Eur J Med Chem 101: 616-26 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.020 BindingDB Entry DOI: 10.7270/Q26H4MFF |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238693
(CHEMBL4063830)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)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 |r| Show InChI InChI=1S/C57H89N17O11/c1-33(2)28-41(71-53(83)44(30-35-14-7-4-8-15-35)73-51(81)42(67-47(77)23-24-58)31-36-19-21-37(75)22-20-36)50(80)72-43(29-34-12-5-3-6-13-34)52(82)69-39(17-10-26-66-57(63)64)55(85)74-27-11-18-45(74)54(84)68-38(16-9-25-65-56(61)62)49(79)70-40(48(60)78)32-46(59)76/h3,5-6,12-13,19-22,33,35,38-45,75H,4,7-11,14-18,23-32,58H2,1-2H3,(H2,59,76)(H2,60,78)(H,67,77)(H,68,84)(H,69,82)(H,70,79)(H,71,83)(H,72,80)(H,73,81)(H4,61,62,65)(H4,63,64,66)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50291716
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50049424
(CHEMBL3315348)Show SMILES NC(=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](Cc1ccc2ccccc2c1)NC(=O)CCc1cccnc1)C(N)=O |r| Show InChI InChI=1S/C51H67N15O8/c52-42(67)29-38(44(53)69)64-45(70)36(15-7-23-59-50(54)55)62-48(73)41-17-9-25-66(41)49(74)37(16-8-24-60-51(56)57)63-47(72)40(27-31-10-2-1-3-11-31)65-46(71)39(61-43(68)21-19-32-12-6-22-58-30-32)28-33-18-20-34-13-4-5-14-35(34)26-33/h1-6,10-14,18,20,22,26,30,36-41H,7-9,15-17,19,21,23-25,27-29H2,(H2,52,67)(H2,53,69)(H,61,68)(H,62,73)(H,63,72)(H,64,70)(H,65,71)(H4,54,55,59)(H4,56,57,60)/t36-,37-,38-,39-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Partial agonist activity at human NMUR1 expressed in CHO cells by calcium mobilization assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127436 BindingDB Entry DOI: 10.7270/Q2QC077Z |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50500784
(CHEMBL4299242)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(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 |r| Show InChI InChI=1S/C92H159N17O23/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-35-80(111)99-39-42-122-44-46-124-48-50-126-52-54-128-56-58-130-60-62-132-64-63-131-61-59-129-57-55-127-53-51-125-49-47-123-45-43-121-41-36-81(112)108-92(4,5)89(120)107-77(67-71-30-22-19-23-31-71)86(117)105-75(65-69(2)3)84(115)106-76(66-70-28-20-18-21-29-70)85(116)103-73(33-26-38-101-91(97)98)88(119)109-40-27-34-78(109)87(118)102-72(32-25-37-100-90(95)96)83(114)104-74(82(94)113)68-79(93)110/h18-23,28-31,69,72-78H,6-17,24-27,32-68H2,1-5H3,(H2,93,110)(H2,94,113)(H,99,111)(H,102,118)(H,103,116)(H,104,114)(H,105,117)(H,106,115)(H,107,120)(H,108,112)(H4,95,96,100)(H4,97,98,101)/t72-,73-,74-,75-,76-,77+,78-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human NMU1 expressed in HEK293 cells assessed as change in intracellular calcium flux by fluorescence assay |
Eur J Med Chem 101: 616-26 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.020 BindingDB Entry DOI: 10.7270/Q26H4MFF |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238696
(CHEMBL4087867)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C56H79N15O12/c1-32(2)27-40(68-53(81)43(29-34-13-7-4-8-14-34)70-51(79)41(64-47(75)23-24-57)30-35-17-19-36(72)20-18-35)50(78)69-42(28-33-11-5-3-6-12-33)52(80)66-38(21-22-45(58)73)55(83)71-26-10-16-44(71)54(82)65-37(15-9-25-63-56(61)62)49(77)67-39(48(60)76)31-46(59)74/h3-8,11-14,17-20,32,37-44,72H,9-10,15-16,21-31,57H2,1-2H3,(H2,58,73)(H2,59,74)(H2,60,76)(H,64,75)(H,65,82)(H,66,80)(H,67,77)(H,68,81)(H,69,78)(H,70,79)(H4,61,62,63)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50049424
(CHEMBL3315348)Show SMILES NC(=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](Cc1ccc2ccccc2c1)NC(=O)CCc1cccnc1)C(N)=O |r| Show InChI InChI=1S/C51H67N15O8/c52-42(67)29-38(44(53)69)64-45(70)36(15-7-23-59-50(54)55)62-48(73)41-17-9-25-66(41)49(74)37(16-8-24-60-51(56)57)63-47(72)40(27-31-10-2-1-3-11-31)65-46(71)39(61-43(68)21-19-32-12-6-22-58-30-32)28-33-18-20-34-13-4-5-14-35(34)26-33/h1-6,10-14,18,20,22,26,30,36-41H,7-9,15-17,19,21,23-25,27-29H2,(H2,52,67)(H2,53,69)(H,61,68)(H,62,73)(H,63,72)(H,64,70)(H,65,71)(H4,54,55,59)(H4,56,57,60)/t36-,37-,38-,39-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a |
Tokyo University of Pharmacy and Life Sciences
Curated by ChEMBL
| Assay Description Partial agonist activity at human NMUR1 expressed in CHO cells by calcium mobilization assay |
J Med Chem 57: 6583-93 (2014)
Article DOI: 10.1021/jm500599s BindingDB Entry DOI: 10.7270/Q2FQ9Z71 |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238701
(CHEMBL4061507)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)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 |r| Show InChI InChI=1S/C57H96N18O11/c1-4-5-14-38(49(80)70-40(16-10-23-66-57(62)63)55(86)75-26-11-17-45(75)54(85)69-39(15-9-22-65-56(60)61)50(81)71-41(48(59)79)32-46(58)77)68-51(82)42(29-34(2)3)72-53(84)44(30-35-12-7-6-8-13-35)73-52(83)43(31-36-18-20-37(76)21-19-36)67-47(78)33-74-27-24-64-25-28-74/h18-21,34-35,38-45,64,76H,4-17,22-33H2,1-3H3,(H2,58,77)(H2,59,79)(H,67,78)(H,68,82)(H,69,85)(H,70,80)(H,71,81)(H,72,84)(H,73,83)(H4,60,61,65)(H4,62,63,66)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238706
(CHEMBL4099780)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C63H91N17O11/c1-37(2)31-48(77-60(90)51(35-41-22-25-42-17-10-11-18-43(42)32-41)79-58(88)49(34-40-23-26-44(81)27-24-40)73-53(83)21-9-6-12-28-64)57(87)78-50(33-39-15-7-5-8-16-39)59(89)75-46(20-14-30-72-63(69)70)61(91)80(4)38(3)55(85)74-45(19-13-29-71-62(67)68)56(86)76-47(54(66)84)36-52(65)82/h5,7-8,10-11,15-18,22-27,32,37-38,45-51,81H,6,9,12-14,19-21,28-31,33-36,64H2,1-4H3,(H2,65,82)(H2,66,84)(H,73,83)(H,74,85)(H,75,89)(H,76,86)(H,77,90)(H,78,87)(H,79,88)(H4,67,68,71)(H4,69,70,72)/t38-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238700
(CHEMBL4089636)Show SMILES CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)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 |r| Show InChI InChI=1S/C56H87N17O11/c1-32(2)46(72-51(81)42(29-34-14-7-4-8-15-34)70-49(79)40(66-45(76)23-24-57)30-35-19-21-36(74)22-20-35)53(83)71-41(28-33-12-5-3-6-13-33)50(80)68-38(17-10-26-65-56(62)63)54(84)73-27-11-18-43(73)52(82)67-37(16-9-25-64-55(60)61)48(78)69-39(47(59)77)31-44(58)75/h3,5-6,12-13,19-22,32,34,37-43,46,74H,4,7-11,14-18,23-31,57H2,1-2H3,(H2,58,75)(H2,59,77)(H,66,76)(H,67,82)(H,68,80)(H,69,78)(H,70,79)(H,71,83)(H,72,81)(H4,60,61,64)(H4,62,63,65)/t37-,38-,39-,40-,41-,42-,43-,46-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50338535
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as IP3 accumulation after 60 mins in presence of myo-[2-3H(N)]inositol by scintill... |
ACS Med Chem Lett 9: 496-501 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00105 BindingDB Entry DOI: 10.7270/Q2FB55HS |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50560260
(CHEMBL4798983)Show SMILES NC(=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](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCc1cccnc1)C(N)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells by calcium mobilization assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127436 BindingDB Entry DOI: 10.7270/Q2QC077Z |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50336621
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as IP3 accumulation after 60 mins in presence of myo-[2-3H(N)]inositol by scintill... |
ACS Med Chem Lett 9: 496-501 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00105 BindingDB Entry DOI: 10.7270/Q2FB55HS |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50291714
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50291699
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50291701
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50291718
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5.10 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50291719
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262111
(CHEMBL4081819)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)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)=O)C(O)=O |r,wU:115.119,97.100,24.27,wD:30.31,111.115,126.130,58.58,81.83,21.20,(-30.8,-31.53,;-29.47,-32.3,;-28.14,-31.54,;-26.8,-32.32,;-25.47,-31.54,;-24.13,-32.32,;-22.79,-31.54,;-21.47,-32.32,;-20.13,-31.54,;-18.79,-32.32,;-17.46,-31.54,;-16.12,-32.32,;-14.79,-31.54,;-13.45,-32.32,;-12.12,-31.54,;-10.79,-32.32,;-9.45,-31.54,;-8.12,-32.32,;-8.13,-33.86,;-6.79,-31.54,;-5.45,-32.31,;-4.11,-31.55,;-2.78,-32.33,;-1.44,-31.57,;-1.45,-30.03,;-2.78,-29.26,;-4.11,-30.02,;-.12,-29.26,;-.11,-27.73,;1.22,-30.04,;2.56,-29.27,;3.89,-30.05,;5.23,-29.28,;6.56,-30.06,;6.56,-31.6,;7.9,-29.29,;9.23,-30.05,;10.57,-29.28,;11.89,-30.05,;13.23,-29.28,;14.56,-30.05,;15.9,-29.28,;17.22,-30.05,;18.56,-29.28,;19.88,-30.05,;21.22,-29.28,;22.55,-30.05,;23.89,-29.28,;25.21,-30.05,;26.55,-29.28,;27.87,-30.05,;27.87,-31.59,;29.21,-29.28,;30.55,-30.04,;31.87,-29.25,;33.21,-30,;33.23,-31.54,;34.53,-29.22,;35.87,-29.99,;35.87,-31.53,;37.2,-32.3,;38.54,-31.54,;39.87,-32.3,;39.88,-33.84,;41.22,-34.58,;38.53,-34.61,;37.21,-33.84,;37.21,-29.22,;37.2,-27.68,;38.53,-29.99,;39.88,-29.22,;39.87,-27.68,;41.21,-26.92,;42.54,-27.69,;43.88,-26.92,;43.88,-25.38,;42.54,-24.6,;41.21,-25.38,;41.2,-29.99,;41.21,-31.54,;42.54,-29.22,;43.87,-29.99,;43.88,-31.53,;45.21,-32.3,;46.54,-31.53,;45.21,-33.85,;45.21,-29.23,;45.21,-27.69,;46.56,-29.97,;47.91,-29.22,;49.25,-29.99,;49.25,-31.53,;50.58,-32.3,;50.58,-33.83,;47.91,-27.68,;46.58,-26.91,;49.25,-26.89,;49.25,-25.34,;47.91,-24.57,;47.91,-23.03,;49.25,-22.26,;49.25,-20.71,;50.6,-19.94,;51.93,-20.7,;50.6,-18.39,;50.58,-24.57,;50.58,-23.03,;51.91,-25.34,;52.07,-26.87,;53.57,-27.18,;54.34,-25.85,;53.31,-24.71,;53.64,-23.2,;52.49,-22.17,;55.11,-22.71,;55.15,-21.17,;53.84,-20.36,;53.88,-18.82,;52.56,-18.02,;52.6,-16.47,;51.29,-15.66,;49.93,-16.38,;51.33,-14.12,;56.5,-20.43,;57.8,-21.24,;56.54,-18.89,;57.9,-18.15,;59.22,-18.95,;60.57,-18.22,;60.62,-16.69,;61.88,-19.03,;57.94,-16.61,;56.64,-15.8,;59.29,-15.88,;2.56,-27.73,;3.9,-26.97,;1.23,-26.95,)| Show InChI InChI=1S/C96H165N19O22/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-24-36-81(118)106-62-68-37-41-69(42-38-68)85(122)111-74(93(130)131)45-46-82(119)102-49-28-52-134-54-56-136-57-55-135-53-29-50-103-83(120)63-137-64-84(121)107-76(60-67-39-43-70(116)44-40-67)89(126)113-77(59-66-30-22-21-23-31-66)90(127)112-75(58-65(3)4)88(125)108-71(32-8-6-2)86(123)110-73(34-26-48-105-96(100)101)92(129)115-51-27-35-79(115)91(128)109-72(33-25-47-104-95(98)99)87(124)114-78(94(132)133)61-80(97)117/h39-40,43-44,65-66,68-69,71-79,116H,5-38,41-42,45-64H2,1-4H3,(H2,97,117)(H,102,119)(H,103,120)(H,106,118)(H,107,121)(H,108,125)(H,109,128)(H,110,123)(H,111,122)(H,112,127)(H,113,126)(H,114,124)(H,130,131)(H,132,133)(H4,98,99,104)(H4,100,101,105)/t68-,69-,71?,72-,73-,74-,75-,76-,77?,78-,79-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019 BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50291696
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 7.70 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238710
(CHEMBL4091611)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)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 |r| Show InChI InChI=1S/C61H85N17O11/c1-35(2)29-45(75-57(87)48(33-38-18-21-39-13-6-7-14-40(39)30-38)77-55(85)46(71-51(81)24-25-62)32-37-19-22-41(79)23-20-37)54(84)76-47(31-36-11-4-3-5-12-36)56(86)73-43(16-9-27-70-61(67)68)59(89)78-28-10-17-49(78)58(88)72-42(15-8-26-69-60(65)66)53(83)74-44(52(64)82)34-50(63)80/h3-7,11-14,18-23,30,35,42-49,79H,8-10,15-17,24-29,31-34,62H2,1-2H3,(H2,63,80)(H2,64,82)(H,71,81)(H,72,88)(H,73,86)(H,74,83)(H,75,87)(H,76,84)(H,77,85)(H4,65,66,69)(H4,67,68,70)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 7.80 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50291727
(CHEMBL4175315)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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 8.10 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238711
(CHEMBL4097355)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)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 |r| Show InChI InChI=1S/C56H88N18O11/c1-32(2)27-40(71-52(83)42(28-33-9-4-3-5-10-33)73-50(81)41(67-46(77)18-21-57)29-34-14-16-36(75)17-15-34)49(80)72-43(30-35-19-24-64-25-20-35)51(82)69-38(12-7-23-66-56(62)63)54(85)74-26-8-13-44(74)53(84)68-37(11-6-22-65-55(60)61)48(79)70-39(47(59)78)31-45(58)76/h14-17,19-20,24-25,32-33,37-44,75H,3-13,18,21-23,26-31,57H2,1-2H3,(H2,58,76)(H2,59,78)(H,67,77)(H,68,84)(H,69,82)(H,70,79)(H,71,83)(H,72,80)(H,73,81)(H4,60,61,65)(H4,62,63,66)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 8.10 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50049423
(CHEMBL3315278)Show SMILES CC(C)C[C@H](NC(=O)CCc1ccccc1)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 |r| Show InChI InChI=1S/C45H68N14O8/c1-27(2)24-33(54-37(61)20-19-28-12-5-3-6-13-28)40(64)58-34(25-29-14-7-4-8-15-29)41(65)56-31(17-10-22-53-45(50)51)43(67)59-23-11-18-35(59)42(66)55-30(16-9-21-52-44(48)49)39(63)57-32(38(47)62)26-36(46)60/h3-8,12-15,27,30-35H,9-11,16-26H2,1-2H3,(H2,46,60)(H2,47,62)(H,54,61)(H,55,66)(H,56,65)(H,57,63)(H,58,64)(H4,48,49,52)(H4,50,51,53)/t30-,31-,32-,33-,34-,35-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
Tokyo University of Pharmacy and Life Sciences
Curated by ChEMBL
| Assay Description Partial agonist activity at human NMUR1 expressed in CHO cells by calcium mobilization assay |
J Med Chem 57: 6583-93 (2014)
Article DOI: 10.1021/jm500599s BindingDB Entry DOI: 10.7270/Q2FQ9Z71 |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238703
(CHEMBL4081760)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C63H90N18O11/c1-37(2)30-48(77-60(91)51(34-41-18-21-42-14-8-9-15-43(42)31-41)79-58(89)49(33-40-19-22-44(82)23-20-40)73-53(84)36-81-28-26-70-27-29-81)57(88)78-50(32-39-12-6-5-7-13-39)59(90)75-46(17-11-25-72-63(68)69)61(92)80(4)38(3)55(86)74-45(16-10-24-71-62(66)67)56(87)76-47(54(65)85)35-52(64)83/h5-9,12-15,18-23,31,37-38,45-51,70,82H,10-11,16-17,24-30,32-36H2,1-4H3,(H2,64,83)(H2,65,85)(H,73,84)(H,74,86)(H,75,90)(H,76,87)(H,77,91)(H,78,88)(H,79,89)(H4,66,67,71)(H4,68,69,72)/t38-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 9.20 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262099
(CHEMBL4074121)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)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)=O |r| Show InChI InChI=1S/C64H89N17O12/c1-38(2)31-47(76-59(89)50(35-41-18-21-42-13-6-7-14-43(42)32-41)78-57(87)48(34-40-19-22-44(82)23-20-40)73-54(84)37-80-29-26-70-27-30-80)56(86)77-49(33-39-11-4-3-5-12-39)58(88)75-46(16-9-25-72-64(68)69)61(91)81-28-10-17-52(81)60(90)74-45(15-8-24-71-63(66)67)55(85)79-51(62(92)93)36-53(65)83/h3-7,11-14,18-23,32,38,45-52,70,82H,8-10,15-17,24-31,33-37H2,1-2H3,(H2,65,83)(H,73,84)(H,74,90)(H,75,88)(H,76,89)(H,77,86)(H,78,87)(H,79,85)(H,92,93)(H4,66,67,71)(H4,68,69,72)/t45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019 BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238699
(CHEMBL4063341)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)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 |r| Show InChI InChI=1S/C64H90N18O11/c1-38(2)31-48(78-60(91)51(35-41-18-21-42-13-6-7-14-43(42)32-41)80-58(89)49(34-40-19-22-44(83)23-20-40)74-54(85)37-81-29-26-71-27-30-81)57(88)79-50(33-39-11-4-3-5-12-39)59(90)76-46(16-9-25-73-64(69)70)62(93)82-28-10-17-52(82)61(92)75-45(15-8-24-72-63(67)68)56(87)77-47(55(66)86)36-53(65)84/h3-7,11-14,18-23,32,38,45-52,71,83H,8-10,15-17,24-31,33-37H2,1-2H3,(H2,65,84)(H2,66,86)(H,74,85)(H,75,92)(H,76,90)(H,77,87)(H,78,91)(H,79,88)(H,80,89)(H4,67,68,72)(H4,69,70,73)/t45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50291715
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50336637
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as IP3 accumulation after 60 mins in presence of myo-[2-3H(N)]inositol by scintill... |
ACS Med Chem Lett 9: 496-501 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00105 BindingDB Entry DOI: 10.7270/Q2FB55HS |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50291731
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50500776
(CHEMBL3759206)Show SMILES CCCCCCCCCCCCCCCCNC(=O)CNCC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(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 |r| Show InChI InChI=1S/C69H114N18O11/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-36-77-57(89)44-76-45-58(90)86-69(4,5)66(98)85-54(42-48-31-23-20-24-32-48)63(95)83-52(40-46(2)3)61(93)84-53(41-47-29-21-19-22-30-47)62(94)81-50(34-27-38-79-68(74)75)65(97)87-39-28-35-55(87)64(96)80-49(33-26-37-78-67(72)73)60(92)82-51(59(71)91)43-56(70)88/h19-24,29-32,46,49-55,76H,6-18,25-28,33-45H2,1-5H3,(H2,70,88)(H2,71,91)(H,77,89)(H,80,96)(H,81,94)(H,82,92)(H,83,95)(H,84,93)(H,85,98)(H,86,90)(H4,72,73,78)(H4,74,75,79)/t49-,50-,51-,52-,53-,54-,55-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human NMU1 expressed in HEK293 cells assessed as change in intracellular calcium flux by fluorescence assay |
Eur J Med Chem 101: 616-26 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.020 BindingDB Entry DOI: 10.7270/Q26H4MFF |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50238697
(CHEMBL4090300)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)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 |r| Show InChI InChI=1S/C66H94N18O12/c1-38(2)32-50(80-62(94)53(36-42-22-25-43-16-7-8-17-44(43)33-42)83-61(93)52(35-41-23-26-45(86)27-24-41)81-57(89)46(76-39(3)85)18-9-10-28-67)59(91)82-51(34-40-14-5-4-6-15-40)60(92)78-48(20-12-30-75-66(72)73)64(96)84-31-13-21-54(84)63(95)77-47(19-11-29-74-65(70)71)58(90)79-49(56(69)88)37-55(68)87/h4-8,14-17,22-27,33,38,46-54,86H,9-13,18-21,28-32,34-37,67H2,1-3H3,(H2,68,87)(H2,69,88)(H,76,85)(H,77,95)(H,78,92)(H,79,90)(H,80,94)(H,81,89)(H,82,91)(H,83,93)(H4,70,71,74)(H4,72,73,75)/t46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay |
J Med Chem 60: 6089-6097 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK |
More data for this Ligand-Target Pair | |