Found 34 hits of Enzyme Inhibition Constant Data 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)) | 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 2
(Homo sapiens (Human)) | BDBM50500782
(CHEMBL3758687)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(=O)NC(C)(C)C(N)=O |r| Show InChI InChI=1S/C53H83N17O10/c1-30(2)26-35(65-44(75)37(68-49(80)52(3,4)60)28-32-18-11-8-12-19-32)42(73)66-36(27-31-16-9-7-10-17-31)43(74)64-34(21-14-24-62-51(58)59)47(78)70-25-15-22-39(70)46(77)63-33(20-13-23-61-50(56)57)41(72)67-38(29-40(54)71)45(76)69-53(5,6)48(55)79/h7-12,16-19,30,33-39H,13-15,20-29,60H2,1-6H3,(H2,54,71)(H2,55,79)(H,63,77)(H,64,74)(H,65,75)(H,66,73)(H,67,72)(H,68,80)(H,69,76)(H4,56,57,61)(H4,58,59,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 56 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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 2
(Homo sapiens (Human)) | BDBM50500785
(CHEMBL4299273)Show SMILES CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCC(=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/C87H151N17O10/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-41-57-103(58-42-32-30-28-26-24-22-20-18-16-14-12-10-8-2)59-43-35-40-54-76(106)102-87(5,6)84(114)101-73(63-67-49-38-34-39-50-67)81(111)99-71(61-65(3)4)79(109)100-72(62-66-47-36-33-37-48-66)80(110)97-69(52-45-56-95-86(92)93)83(113)104-60-46-53-74(104)82(112)96-68(51-44-55-94-85(90)91)78(108)98-70(77(89)107)64-75(88)105/h33-34,36-39,47-50,65,68-74H,7-32,35,40-46,51-64H2,1-6H3,(H2,88,105)(H2,89,107)(H,96,112)(H,97,110)(H,98,108)(H,99,111)(H,100,109)(H,101,114)(H,102,106)(H4,90,91,94)(H4,92,93,95)/t68-,69-,70-,71-,72-,73+,74-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 794 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 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 2
(Homo sapiens (Human)) | BDBM50500778
(CHEMBL4299263)Show SMILES [H][C@]12CCCN1C(=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)CCCCCNC(=O)[C@@H](N)CSCc1cc(CSCCCCCCCCCCCCCCCC)cc(CSC[C@H](NC(=O)CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC2=O)C(N)=O)c1 |r| Show InChI InChI=1S/C88H141N19O12S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-29-47-120-55-63-49-64-51-65(50-63)57-122-59-73(78(91)111)101-77(110)41-26-20-28-43-97-80(113)72(54-75(90)108)106-81(114)67(37-30-44-98-87(92)93)102-85(118)74-39-32-46-107(74)86(119)68(38-31-45-99-88(94)95)103-84(117)71(53-62-35-23-18-24-36-62)105-82(115)69(48-60(2)3)104-83(116)70(52-61-33-21-17-22-34-61)100-76(109)40-25-19-27-42-96-79(112)66(89)58-121-56-64/h17-18,21-24,33-36,49-51,60,66-74H,4-16,19-20,25-32,37-48,52-59,89H2,1-3H3,(H2,90,108)(H2,91,111)(H,96,112)(H,97,113)(H,100,109)(H,101,110)(H,102,118)(H,103,117)(H,104,116)(H,105,115)(H,106,114)(H4,92,93,98)(H4,94,95,99)/t66-,67+,68+,69-,70+,71+,72+,73-,74+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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 2
(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 | 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 NMU2 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 2
(Homo sapiens (Human)) | BDBM50500775
(CHEMBL3758845)Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN(CCCCCCCCCCCCCCCC)CC(=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/C85H146N18O11/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-39-51-92-73(105)60-102(54-40-32-30-28-26-24-22-20-18-16-14-12-10-8-2)61-74(106)101-85(5,6)82(114)100-70(58-64-46-37-34-38-47-64)79(111)98-68(56-62(3)4)77(109)99-69(57-63-44-35-33-36-45-63)78(110)96-66(49-42-53-94-84(90)91)81(113)103-55-43-50-71(103)80(112)95-65(48-41-52-93-83(88)89)76(108)97-67(75(87)107)59-72(86)104/h33-38,44-47,62,65-71H,7-32,39-43,48-61H2,1-6H3,(H2,86,104)(H2,87,107)(H,92,105)(H,95,112)(H,96,110)(H,97,108)(H,98,111)(H,99,109)(H,100,114)(H,101,106)(H4,88,89,93)(H4,90,91,94)/t65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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 2
(Homo sapiens (Human)) | BDBM50500780
(CHEMBL3759820)Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN(CC(=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)C(=O)c1cccnc1 |r| Show InChI InChI=1S/C75H117N19O12/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-39-83-62(96)48-93(70(104)53-34-26-38-82-47-53)49-63(97)92-75(4,5)72(106)91-59(45-52-32-23-20-24-33-52)68(102)89-57(43-50(2)3)66(100)90-58(44-51-30-21-19-22-31-51)67(101)87-55(36-28-41-85-74(80)81)71(105)94-42-29-37-60(94)69(103)86-54(35-27-40-84-73(78)79)65(99)88-56(64(77)98)46-61(76)95/h19-24,26,30-34,38,47,50,54-60H,6-18,25,27-29,35-37,39-46,48-49H2,1-5H3,(H2,76,95)(H2,77,98)(H,83,96)(H,86,103)(H,87,101)(H,88,99)(H,89,102)(H,90,100)(H,91,106)(H,92,97)(H4,78,79,84)(H4,80,81,85)/t54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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 2
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.339 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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)) | BDBM50500786
(CHEMBL4299255)Show SMILES [H][C@]12C[C@]3([H])N(C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)CCCCCNC(=O)[C@H](N)CSCc4cc(CSCCCCCCCCCCCCCCCC)cc(CSC[C@@H](NC(=O)CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC3=O)C(N)=O)c4)[C@@]1([H])CCCC2 |r| Show InChI InChI=1S/C92H147N19O12S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-31-48-124-57-65-50-66-52-67(51-65)59-126-61-76(82(95)115)105-81(114)43-26-20-30-45-101-84(117)75(56-79(94)112)110-85(118)70(39-32-46-102-91(96)97)106-89(122)78-55-68-38-27-28-41-77(68)111(78)90(123)71(40-33-47-103-92(98)99)107-88(121)74(54-64-36-23-18-24-37-64)109-86(119)72(49-62(2)3)108-87(120)73(53-63-34-21-17-22-35-63)104-80(113)42-25-19-29-44-100-83(116)69(93)60-125-58-66/h17-18,21-24,34-37,50-52,62,68-78H,4-16,19-20,25-33,38-49,53-61,93H2,1-3H3,(H2,94,112)(H2,95,115)(H,100,116)(H,101,117)(H,104,113)(H,105,114)(H,106,122)(H,107,121)(H,108,120)(H,109,119)(H,110,118)(H4,96,97,102)(H4,98,99,103)/t68-,69+,70-,71-,72+,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 | 6.31E+3 | 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 2
(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 | 0.794 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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)) | BDBM50500782
(CHEMBL3758687)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(=O)NC(C)(C)C(N)=O |r| Show InChI InChI=1S/C53H83N17O10/c1-30(2)26-35(65-44(75)37(68-49(80)52(3,4)60)28-32-18-11-8-12-19-32)42(73)66-36(27-31-16-9-7-10-17-31)43(74)64-34(21-14-24-62-51(58)59)47(78)70-25-15-22-39(70)46(77)63-33(20-13-23-61-50(56)57)41(72)67-38(29-40(54)71)45(76)69-53(5,6)48(55)79/h7-12,16-19,30,33-39H,13-15,20-29,60H2,1-6H3,(H2,54,71)(H2,55,79)(H,63,77)(H,64,74)(H,65,75)(H,66,73)(H,67,72)(H,68,80)(H,69,76)(H4,56,57,61)(H4,58,59,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 59 | 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)) | BDBM50500787
(CHEMBL3759714)Show SMILES CCCCCCCCCCCCCCCC(=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/C65H106N16O10/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-35-54(83)80-65(4,5)62(91)79-51(41-45-30-22-19-23-31-45)59(88)77-49(39-43(2)3)57(86)78-50(40-44-28-20-18-21-29-44)58(87)75-47(33-26-37-73-64(70)71)61(90)81-38-27-34-52(81)60(89)74-46(32-25-36-72-63(68)69)56(85)76-48(55(67)84)42-53(66)82/h18-23,28-31,43,46-52H,6-17,24-27,32-42H2,1-5H3,(H2,66,82)(H2,67,84)(H,74,89)(H,75,87)(H,76,85)(H,77,88)(H,78,86)(H,79,91)(H,80,83)(H4,68,69,72)(H4,70,71,73)/t46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 141 | 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)) | BDBM50500788
(CHEMBL3758417)Show SMILES [H][C@]12C[C@H](N(C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCCNC(=O)[C@@H](N)CS)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCCC(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C67H107N19O12S2/c1-40(2)33-47(83-62(95)48(34-41-19-7-3-8-20-41)79-55(88)27-11-5-15-29-75-58(91)44(68)38-99)61(94)84-49(35-42-21-9-4-10-22-42)63(96)82-46(25-18-32-78-67(73)74)65(98)86-52-26-14-13-23-43(52)36-53(86)64(97)81-45(24-17-31-77-66(71)72)60(93)85-50(37-54(69)87)59(92)76-30-16-6-12-28-56(89)80-51(39-100)57(70)90/h3-4,7-10,19-22,40,43-53,99-100H,5-6,11-18,23-39,68H2,1-2H3,(H2,69,87)(H2,70,90)(H,75,91)(H,76,92)(H,79,88)(H,80,89)(H,81,97)(H,82,96)(H,83,95)(H,84,94)(H,85,93)(H4,71,72,77)(H4,73,74,78)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.35E+3 | 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)) | BDBM50500777
(CHEMBL3759408)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)[C@@H](N)CS)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)NCCCCCC(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C63H101N19O12S2/c1-38(2)32-44(79-58(91)45(33-39-18-7-3-8-19-39)75-51(84)25-11-5-13-27-71-54(87)41(64)36-95)57(90)80-46(34-40-20-9-4-10-21-40)59(92)78-43(23-16-30-74-63(69)70)61(94)82-31-17-24-49(82)60(93)77-42(22-15-29-73-62(67)68)56(89)81-47(35-50(65)83)55(88)72-28-14-6-12-26-52(85)76-48(37-96)53(66)86/h3-4,7-10,18-21,38,41-49,95-96H,5-6,11-17,22-37,64H2,1-2H3,(H2,65,83)(H2,66,86)(H,71,87)(H,72,88)(H,75,84)(H,76,85)(H,77,93)(H,78,92)(H,79,91)(H,80,90)(H,81,89)(H4,67,68,73)(H4,69,70,74)/t41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 162 | 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)) | BDBM50500785
(CHEMBL4299273)Show SMILES CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCC(=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/C87H151N17O10/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-41-57-103(58-42-32-30-28-26-24-22-20-18-16-14-12-10-8-2)59-43-35-40-54-76(106)102-87(5,6)84(114)101-73(63-67-49-38-34-39-50-67)81(111)99-71(61-65(3)4)79(109)100-72(62-66-47-36-33-37-48-66)80(110)97-69(52-45-56-95-86(92)93)83(113)104-60-46-53-74(104)82(112)96-68(51-44-55-94-85(90)91)78(108)98-70(77(89)107)64-75(88)105/h33-34,36-39,47-50,65,68-74H,7-32,35,40-46,51-64H2,1-6H3,(H2,88,105)(H2,89,107)(H,96,112)(H,97,110)(H,98,108)(H,99,111)(H,100,109)(H,101,114)(H,102,106)(H4,90,91,94)(H4,92,93,95)/t68-,69-,70-,71-,72-,73+,74-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 501 | 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 2
(Homo sapiens (Human)) | BDBM50500788
(CHEMBL3758417)Show SMILES [H][C@]12C[C@H](N(C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCCNC(=O)[C@@H](N)CS)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCCC(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C67H107N19O12S2/c1-40(2)33-47(83-62(95)48(34-41-19-7-3-8-20-41)79-55(88)27-11-5-15-29-75-58(91)44(68)38-99)61(94)84-49(35-42-21-9-4-10-22-42)63(96)82-46(25-18-32-78-67(73)74)65(98)86-52-26-14-13-23-43(52)36-53(86)64(97)81-45(24-17-31-77-66(71)72)60(93)85-50(37-54(69)87)59(92)76-30-16-6-12-28-56(89)80-51(39-100)57(70)90/h3-4,7-10,19-22,40,43-53,99-100H,5-6,11-18,23-39,68H2,1-2H3,(H2,69,87)(H2,70,90)(H,75,91)(H,76,92)(H,79,88)(H,80,89)(H,81,97)(H,82,96)(H,83,95)(H,84,94)(H,85,93)(H4,71,72,77)(H4,73,74,78)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 724 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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 2
(Homo sapiens (Human)) | BDBM50500789
(CHEMBL4299249)Show SMILES [H][C@]12Cc3ccccc3CN1C(=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)CCCCCNC(=O)[C@@H](N)CSCc1cc(CSCCCCCCCCCCCCCCCC)cc(CSC[C@H](NC(=O)CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC2=O)C(N)=O)c1 |r| Show InChI InChI=1S/C93H143N19O12S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-31-48-125-58-66-50-67-52-68(51-66)60-127-62-78(83(96)116)106-82(115)43-26-20-30-45-102-85(118)77(56-80(95)113)111-86(119)72(40-32-46-103-92(97)98)107-90(123)79-55-69-38-27-28-39-70(69)57-112(79)91(124)73(41-33-47-104-93(99)100)108-89(122)76(54-65-36-23-18-24-37-65)110-87(120)74(49-63(2)3)109-88(121)75(53-64-34-21-17-22-35-64)105-81(114)42-25-19-29-44-101-84(117)71(94)61-126-59-67/h17-18,21-24,27-28,34-39,50-52,63,71-79H,4-16,19-20,25-26,29-33,40-49,53-62,94H2,1-3H3,(H2,95,113)(H2,96,116)(H,101,117)(H,102,118)(H,105,114)(H,106,115)(H,107,123)(H,108,122)(H,109,121)(H,110,120)(H,111,119)(H4,97,98,103)(H4,99,100,104)/t71-,72+,73+,74-,75+,76+,77+,78-,79+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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)) | BDBM50500781
(CHEMBL3759626)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)[C@@H](N)CS)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(=O)NCCCCCC(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C68H103N19O12S2/c1-41(2)33-49(84-63(96)50(34-42-19-7-3-8-20-42)80-56(89)27-11-5-15-29-76-59(92)46(69)39-100)62(95)85-51(35-43-21-9-4-10-22-43)64(97)83-48(26-18-32-79-68(74)75)66(99)87-38-45-24-14-13-23-44(45)36-54(87)65(98)82-47(25-17-31-78-67(72)73)61(94)86-52(37-55(70)88)60(93)77-30-16-6-12-28-57(90)81-53(40-101)58(71)91/h3-4,7-10,13-14,19-24,41,46-54,100-101H,5-6,11-12,15-18,25-40,69H2,1-2H3,(H2,70,88)(H2,71,91)(H,76,92)(H,77,93)(H,80,89)(H,81,90)(H,82,98)(H,83,97)(H,84,96)(H,85,95)(H,86,94)(H4,72,73,78)(H4,74,75,79)/t46-,47-,48-,49-,50-,51-,52-,53-,54+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.01E+3 | 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)) | 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 2
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.214 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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 2
(Homo sapiens (Human)) | BDBM50500781
(CHEMBL3759626)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)[C@@H](N)CS)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(=O)NCCCCCC(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C68H103N19O12S2/c1-41(2)33-49(84-63(96)50(34-42-19-7-3-8-20-42)80-56(89)27-11-5-15-29-76-59(92)46(69)39-100)62(95)85-51(35-43-21-9-4-10-22-43)64(97)83-48(26-18-32-79-68(74)75)66(99)87-38-45-24-14-13-23-44(45)36-54(87)65(98)82-47(25-17-31-78-67(72)73)61(94)86-52(37-55(70)88)60(93)77-30-16-6-12-28-57(90)81-53(40-101)58(71)91/h3-4,7-10,13-14,19-24,41,46-54,100-101H,5-6,11-12,15-18,25-40,69H2,1-2H3,(H2,70,88)(H2,71,91)(H,76,92)(H,77,93)(H,80,89)(H,81,90)(H,82,98)(H,83,97)(H,84,96)(H,85,95)(H,86,94)(H4,72,73,78)(H4,74,75,79)/t46-,47-,48-,49-,50-,51-,52-,53-,54+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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)) | BDBM50500780
(CHEMBL3759820)Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN(CC(=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)C(=O)c1cccnc1 |r| Show InChI InChI=1S/C75H117N19O12/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-39-83-62(96)48-93(70(104)53-34-26-38-82-47-53)49-63(97)92-75(4,5)72(106)91-59(45-52-32-23-20-24-33-52)68(102)89-57(43-50(2)3)66(100)90-58(44-51-30-21-19-22-31-51)67(101)87-55(36-28-41-85-74(80)81)71(105)94-42-29-37-60(94)69(103)86-54(35-27-40-84-73(78)79)65(99)88-56(64(77)98)46-61(76)95/h19-24,26,30-34,38,47,50,54-60H,6-18,25,27-29,35-37,39-46,48-49H2,1-5H3,(H2,76,95)(H2,77,98)(H,83,96)(H,86,103)(H,87,101)(H,88,99)(H,89,102)(H,90,100)(H,91,106)(H,92,97)(H4,78,79,84)(H4,80,81,85)/t54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 48 | 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 2
(Homo sapiens (Human)) | BDBM50500787
(CHEMBL3759714)Show SMILES CCCCCCCCCCCCCCCC(=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/C65H106N16O10/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-35-54(83)80-65(4,5)62(91)79-51(41-45-30-22-19-23-31-45)59(88)77-49(39-43(2)3)57(86)78-50(40-44-28-20-18-21-29-44)58(87)75-47(33-26-37-73-64(70)71)61(90)81-38-27-34-52(81)60(89)74-46(32-25-36-72-63(68)69)56(85)76-48(55(67)84)42-53(66)82/h18-23,28-31,43,46-52H,6-17,24-27,32-42H2,1-5H3,(H2,66,82)(H2,67,84)(H,74,89)(H,75,87)(H,76,85)(H,77,88)(H,78,86)(H,79,91)(H,80,83)(H4,68,69,72)(H4,70,71,73)/t46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 107 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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 2
(Homo sapiens (Human)) | BDBM50500777
(CHEMBL3759408)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)[C@@H](N)CS)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)NCCCCCC(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C63H101N19O12S2/c1-38(2)32-44(79-58(91)45(33-39-18-7-3-8-19-39)75-51(84)25-11-5-13-27-71-54(87)41(64)36-95)57(90)80-46(34-40-20-9-4-10-21-40)59(92)78-43(23-16-30-74-63(69)70)61(94)82-31-17-24-49(82)60(93)77-42(22-15-29-73-62(67)68)56(89)81-47(35-50(65)83)55(88)72-28-14-6-12-26-52(85)76-48(37-96)53(66)86/h3-4,7-10,18-21,38,41-49,95-96H,5-6,11-17,22-37,64H2,1-2H3,(H2,65,83)(H2,66,86)(H,71,87)(H,72,88)(H,75,84)(H,76,85)(H,77,93)(H,78,92)(H,79,91)(H,80,90)(H,81,89)(H4,67,68,73)(H4,69,70,74)/t41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 282 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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)) | BDBM50500790
(CHEMBL4299250)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(=O)NC(C)(C)C(N)=O |r| Show InChI InChI=1S/C96H166N18O24/c1-8-9-10-11-12-13-14-15-16-17-18-19-26-37-82(116)103-41-44-128-46-48-130-50-52-132-54-56-134-58-60-136-62-64-138-66-65-137-63-61-135-59-57-133-55-53-131-51-49-129-47-45-127-43-38-83(117)112-96(6,7)92(126)111-78(69-73-32-24-21-25-33-73)87(121)108-76(67-71(2)3)85(119)109-77(68-72-30-22-20-23-31-72)86(120)107-75(35-28-40-105-94(101)102)90(124)114-42-29-36-80(114)89(123)106-74(34-27-39-104-93(99)100)84(118)110-79(70-81(97)115)88(122)113-95(4,5)91(98)125/h20-25,30-33,71,74-80H,8-19,26-29,34-70H2,1-7H3,(H2,97,115)(H2,98,125)(H,103,116)(H,106,123)(H,107,120)(H,108,121)(H,109,119)(H,110,118)(H,111,126)(H,112,117)(H,113,122)(H4,99,100,104)(H4,101,102,105)/t74-,75-,76-,77-,78+,79-,80-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 129 | 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)) | BDBM50500778
(CHEMBL4299263)Show SMILES [H][C@]12CCCN1C(=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)CCCCCNC(=O)[C@@H](N)CSCc1cc(CSCCCCCCCCCCCCCCCC)cc(CSC[C@H](NC(=O)CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC2=O)C(N)=O)c1 |r| Show InChI InChI=1S/C88H141N19O12S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-29-47-120-55-63-49-64-51-65(50-63)57-122-59-73(78(91)111)101-77(110)41-26-20-28-43-97-80(113)72(54-75(90)108)106-81(114)67(37-30-44-98-87(92)93)102-85(118)74-39-32-46-107(74)86(119)68(38-31-45-99-88(94)95)103-84(117)71(53-62-35-23-18-24-36-62)105-82(115)69(48-60(2)3)104-83(116)70(52-61-33-21-17-22-34-61)100-76(109)40-25-19-27-42-96-79(112)66(89)58-121-56-64/h17-18,21-24,33-36,49-51,60,66-74H,4-16,19-20,25-32,37-48,52-59,89H2,1-3H3,(H2,90,108)(H2,91,111)(H,96,112)(H,97,113)(H,100,109)(H,101,110)(H,102,118)(H,103,117)(H,104,116)(H,105,115)(H,106,114)(H4,92,93,98)(H4,94,95,99)/t66-,67+,68+,69-,70+,71+,72+,73-,74+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.35E+3 | 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)) | 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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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)) | BDBM50500775
(CHEMBL3758845)Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN(CCCCCCCCCCCCCCCC)CC(=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/C85H146N18O11/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-39-51-92-73(105)60-102(54-40-32-30-28-26-24-22-20-18-16-14-12-10-8-2)61-74(106)101-85(5,6)82(114)100-70(58-64-46-37-34-38-47-64)79(111)98-68(56-62(3)4)77(109)99-69(57-63-44-35-33-36-45-63)78(110)96-66(49-42-53-94-84(90)91)81(113)103-55-43-50-71(103)80(112)95-65(48-41-52-93-83(88)89)76(108)97-67(75(87)107)59-72(86)104/h33-38,44-47,62,65-71H,7-32,39-43,48-61H2,1-6H3,(H2,86,104)(H2,87,107)(H,92,105)(H,95,112)(H,96,110)(H,97,108)(H,98,111)(H,99,109)(H,100,114)(H,101,106)(H4,88,89,93)(H4,90,91,94)/t65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.26E+4 | 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 2
(Homo sapiens (Human)) | BDBM50500786
(CHEMBL4299255)Show SMILES [H][C@]12C[C@]3([H])N(C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)CCCCCNC(=O)[C@H](N)CSCc4cc(CSCCCCCCCCCCCCCCCC)cc(CSC[C@@H](NC(=O)CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC3=O)C(N)=O)c4)[C@@]1([H])CCCC2 |r| Show InChI InChI=1S/C92H147N19O12S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-31-48-124-57-65-50-66-52-67(51-65)59-126-61-76(82(95)115)105-81(114)43-26-20-30-45-101-84(117)75(56-79(94)112)110-85(118)70(39-32-46-102-91(96)97)106-89(122)78-55-68-38-27-28-41-77(68)111(78)90(123)71(40-33-47-103-92(98)99)107-88(121)74(54-64-36-23-18-24-37-64)109-86(119)72(49-62(2)3)108-87(120)73(53-63-34-21-17-22-35-63)104-80(113)42-25-19-29-44-100-83(116)69(93)60-125-58-66/h17-18,21-24,34-37,50-52,62,68-78H,4-16,19-20,25-33,38-49,53-61,93H2,1-3H3,(H2,94,112)(H2,95,115)(H,100,116)(H,101,117)(H,104,113)(H,105,114)(H,106,122)(H,107,121)(H,108,120)(H,109,119)(H,110,118)(H4,96,97,102)(H4,98,99,103)/t68-,69+,70-,71-,72+,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 | 6.31E+3 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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)) | BDBM50500789
(CHEMBL4299249)Show SMILES [H][C@]12Cc3ccccc3CN1C(=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)CCCCCNC(=O)[C@@H](N)CSCc1cc(CSCCCCCCCCCCCCCCCC)cc(CSC[C@H](NC(=O)CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC2=O)C(N)=O)c1 |r| Show InChI InChI=1S/C93H143N19O12S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-31-48-125-58-66-50-67-52-68(51-66)60-127-62-78(83(96)116)106-82(115)43-26-20-30-45-102-85(118)77(56-80(95)113)111-86(119)72(40-32-46-103-92(97)98)107-90(123)79-55-69-38-27-28-39-70(69)57-112(79)91(124)73(41-33-47-104-93(99)100)108-89(122)76(54-65-36-23-18-24-37-65)110-87(120)74(49-63(2)3)109-88(121)75(53-64-34-21-17-22-35-64)105-81(114)42-25-19-29-44-101-84(117)71(94)61-126-59-67/h17-18,21-24,27-28,34-39,50-52,63,71-79H,4-16,19-20,25-26,29-33,40-49,53-62,94H2,1-3H3,(H2,95,113)(H2,96,116)(H,101,117)(H,102,118)(H,105,114)(H,106,115)(H,107,123)(H,108,122)(H,109,121)(H,110,120)(H,111,119)(H4,97,98,103)(H4,99,100,104)/t71-,72+,73+,74-,75+,76+,77+,78-,79+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.94E+3 | 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 2
(Homo sapiens (Human)) | BDBM50500790
(CHEMBL4299250)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(=O)NC(C)(C)C(N)=O |r| Show InChI InChI=1S/C96H166N18O24/c1-8-9-10-11-12-13-14-15-16-17-18-19-26-37-82(116)103-41-44-128-46-48-130-50-52-132-54-56-134-58-60-136-62-64-138-66-65-137-63-61-135-59-57-133-55-53-131-51-49-129-47-45-127-43-38-83(117)112-96(6,7)92(126)111-78(69-73-32-24-21-25-33-73)87(121)108-76(67-71(2)3)85(119)109-77(68-72-30-22-20-23-31-72)86(120)107-75(35-28-40-105-94(101)102)90(124)114-42-29-36-80(114)89(123)106-74(34-27-39-104-93(99)100)84(118)110-79(70-81(97)115)88(122)113-95(4,5)91(98)125/h20-25,30-33,71,74-80H,8-19,26-29,34-70H2,1-7H3,(H2,97,115)(H2,98,125)(H,103,116)(H,106,123)(H,107,120)(H,108,121)(H,109,119)(H,110,118)(H,111,126)(H,112,117)(H,113,122)(H4,99,100,104)(H4,101,102,105)/t74-,75-,76-,77-,78+,79-,80-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 107 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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)) | 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 2
(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 | 1.90 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 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 | |
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