Found 338 hits with Last Name = 'holst' and Initial = 'b' 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 |
|---|
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50366689
(GHRELIN)Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:65.67,185.189,192.197,230.236,120.122,11.11,69.70,129.131,19.19,164.166,37.36,173.175,201.205,48.48,218.222,111.113,56.56,wD:106.109,196.201,31.30,140.142,78.79,149.151,158.160,88.90,97.99,210.214,(-10.37,-25.43,;-9.06,-26.25,;-7.69,-25.54,;-6.4,-26.34,;-5.04,-25.62,;-3.72,-26.44,;-2.37,-25.72,;-2.31,-24.18,;-3.63,-23.36,;-.95,-23.47,;-.89,-21.92,;.45,-21.2,;1.74,-22.05,;1.71,-23.59,;.35,-24.3,;3.02,-24.41,;2.96,-25.94,;4.26,-26.76,;5.62,-26.03,;4.21,-28.3,;5.52,-29.12,;2.86,-29.01,;1.55,-28.21,;.19,-28.92,;-1.13,-28.13,;-2.49,-28.84,;-2.56,-30.38,;-3.82,-28.04,;.51,-19.67,;1.87,-18.94,;-.8,-18.87,;-.72,-17.33,;.63,-16.62,;.68,-15.08,;-2.02,-16.52,;-3.39,-17.24,;-1.98,-14.98,;-3.28,-14.16,;-4.66,-14.88,;-5.95,-14.06,;-7.3,-14.78,;-8.59,-13.97,;-8.55,-12.43,;-7.19,-11.7,;-5.88,-12.51,;-3.24,-12.62,;-4.54,-11.8,;-1.88,-11.9,;-1.81,-10.36,;-3.12,-9.54,;-3.06,-8,;-4.37,-7.19,;-1.71,-7.28,;-.46,-9.64,;.85,-10.45,;-.4,-8.1,;.96,-7.38,;1.01,-5.83,;-.31,-5.04,;2.26,-8.19,;1.95,-9.69,;3.72,-7.72,;4.22,-6.25,;5.76,-6.25,;6.23,-7.71,;4.98,-8.61,;4.98,-10.16,;3.64,-10.92,;6.3,-10.95,;7.63,-10.18,;7.63,-8.64,;8.96,-7.87,;8.96,-6.33,;10.28,-5.58,;7.63,-5.56,;8.96,-10.94,;10.3,-10.18,;8.94,-12.48,;7.6,-13.24,;6.26,-12.47,;4.93,-13.24,;3.52,-12.6,;2.48,-13.74,;3.25,-15.07,;4.76,-14.77,;7.6,-14.78,;8.93,-15.55,;6.27,-15.55,;6.27,-17.09,;4.93,-17.86,;4.93,-19.4,;3.6,-20.17,;2.27,-19.41,;3.6,-21.71,;7.6,-17.86,;7.6,-19.4,;8.93,-17.09,;10.27,-17.85,;10.27,-19.39,;11.62,-20.16,;11.62,-21.7,;12.94,-22.47,;12.93,-24.02,;11.62,-17.08,;12.94,-17.85,;11.61,-15.54,;12.94,-14.77,;14.28,-15.54,;12.94,-13.23,;11.61,-12.47,;14.27,-12.46,;14.28,-10.92,;12.95,-10.16,;12.95,-8.61,;11.61,-7.85,;10.24,-8.64,;11.61,-6.3,;15.6,-10.16,;16.95,-10.92,;15.56,-8.62,;16.9,-7.85,;16.9,-6.31,;15.56,-5.54,;15.56,-4,;16.85,-3.26,;14.22,-3.23,;18.23,-8.62,;18.23,-10.16,;19.57,-7.86,;20.92,-8.59,;22.25,-7.82,;22.25,-6.28,;23.59,-5.51,;24.89,-6.32,;26.21,-5.53,;27.53,-6.34,;26.19,-4.02,;20.92,-10.13,;19.58,-10.9,;22.23,-10.94,;22.26,-12.48,;20.93,-13.26,;20.93,-14.79,;19.59,-15.57,;18.26,-14.79,;18.23,-13.29,;23.59,-13.26,;23.59,-14.79,;24.93,-12.49,;26.28,-13.23,;26.28,-14.77,;27.62,-15.54,;27.62,-17.08,;26.27,-17.86,;28.95,-17.85,;27.62,-12.46,;27.62,-10.93,;28.94,-13.24,;30.27,-12.46,;31.6,-13.23,;32.93,-12.48,;30.27,-10.92,;28.94,-10.16,;31.61,-10.16,;31.62,-8.62,;30.29,-7.85,;30.29,-6.31,;28.95,-5.54,;28.95,-4,;27.61,-3.24,;32.95,-7.85,;34.28,-8.62,;32.94,-6.31,;34.27,-5.54,;34.27,-4,;32.94,-3.23,;32.94,-1.69,;31.61,-.92,;31.59,.62,;35.61,-6.31,;35.61,-7.85,;36.94,-5.54,;37.1,-4.04,;38.62,-3.7,;39.39,-5.03,;38.39,-6.18,;38.7,-7.66,;37.62,-8.74,;40.19,-8.15,;41.43,-7.23,;42.69,-8.12,;42.22,-9.6,;40.68,-9.6,;39.89,-10.92,;38.34,-10.89,;40.63,-12.27,;39.83,-13.59,;38.29,-13.57,;40.58,-14.95,;42.12,-14.97,;39.78,-16.26,;40.53,-17.61,;42.07,-17.63,;42.87,-16.31,;44.4,-16.34,;45.15,-17.69,;46.68,-17.73,;39.73,-18.92,;40.48,-20.27,;38.19,-18.9,;37.4,-20.22,;35.86,-20.19,;35.07,-21.51,;33.53,-21.48,;35.82,-22.85,;38.15,-21.56,;39.69,-21.6,;37.36,-22.88,;38.1,-24.23,;39.65,-24.27,;40.39,-25.61,;41.93,-25.64,;42.66,-26.99,;42.72,-24.32,;37.3,-25.55,;35.77,-25.52,;38.03,-26.89,;39.64,-27.11,;39.85,-28.64,;38.55,-29.35,;37.45,-28.32,;35.9,-28.61,;35.48,-30.09,;34.83,-27.5,)| Show InChI InChI=1S/C147H245N45O42/c1-8-9-10-11-15-45-118(205)234-78-106(169-115(200)74-165-121(208)86(153)34-26-63-163-146(158)159)138(225)187-104(76-194)137(224)184-101(71-84-32-13-12-14-33-84)134(221)183-100(70-81(4)5)133(220)188-105(77-195)143(230)189-65-28-42-108(189)140(227)179-96(51-57-117(203)204)130(217)185-102(72-85-73-162-79-166-85)135(222)178-94(48-54-113(156)198)129(216)172-87(35-16-21-58-148)122(209)167-82(6)119(206)171-92(46-52-111(154)196)127(214)176-93(47-53-112(155)197)128(215)174-91(40-27-64-164-147(160)161)124(211)173-89(37-18-23-60-150)123(210)177-95(50-56-116(201)202)131(218)186-103(75-193)136(223)175-90(38-19-24-61-151)125(212)180-97(39-20-25-62-152)141(228)191-67-30-43-109(191)144(231)190-66-29-41-107(190)139(226)168-83(7)120(207)170-88(36-17-22-59-149)126(213)182-99(69-80(2)3)132(219)181-98(49-55-114(157)199)142(229)192-68-31-44-110(192)145(232)233/h12-14,32-33,73,79-83,86-110,193-195H,8-11,15-31,34-72,74-78,148-153H2,1-7H3,(H2,154,196)(H2,155,197)(H2,156,198)(H2,157,199)(H,162,166)(H,165,208)(H,167,209)(H,168,226)(H,169,200)(H,170,207)(H,171,206)(H,172,216)(H,173,211)(H,174,215)(H,175,223)(H,176,214)(H,177,210)(H,178,222)(H,179,227)(H,180,212)(H,181,219)(H,182,213)(H,183,221)(H,184,224)(H,185,217)(H,186,218)(H,187,225)(H,188,220)(H,201,202)(H,203,204)(H,232,233)(H4,158,159,163)(H4,160,161,164)/t82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Leipzig
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay |
J Med Chem 55: 7437-49 (2012)
Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50396915
(CHEMBL2170781)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r| Show InChI InChI=1S/C51H67N9O6/c1-31(2)25-41(46(54)61)56-48(63)42(26-32(3)4)58-51(66)45(29-36-30-55-40-23-11-10-21-38(36)40)60-49(64)43(27-33-15-6-5-7-16-33)59-50(65)44(57-47(62)39(53)22-12-13-24-52)28-35-19-14-18-34-17-8-9-20-37(34)35/h5-11,14-21,23,30-32,39,41-45,55H,12-13,22,24-29,52-53H2,1-4H3,(H2,54,61)(H,56,63)(H,57,62)(H,58,66)(H,59,65)(H,60,64)/t39-,41-,42-,43-,44+,45+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Leipzig
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay |
J Med Chem 55: 7437-49 (2012)
Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50396901
(CHEMBL2170701)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r| Show InChI InChI=1S/C50H68N10O6/c1-30(2)23-39(45(53)61)55-47(63)40(24-31(3)4)57-49(65)42(26-33-28-54-38-20-11-9-17-35(33)38)59-48(64)41(25-32-15-7-6-8-16-32)58-50(66)43(56-46(62)37(52)19-13-14-22-51)27-34-29-60(5)44-21-12-10-18-36(34)44/h6-12,15-18,20-21,28-31,37,39-43,54H,13-14,19,22-27,51-52H2,1-5H3,(H2,53,61)(H,55,63)(H,56,62)(H,57,65)(H,58,66)(H,59,64)/t37-,39-,40-,41-,42+,43+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Leipzig
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay |
J Med Chem 55: 7437-49 (2012)
Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50396896
(CHEMBL2170693)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r| Show InChI InChI=1S/C49H65N9O6S/c1-29(2)22-38(44(52)59)54-46(61)39(23-30(3)4)56-49(64)42(26-33-28-65-43-20-11-9-17-35(33)43)58-47(62)40(24-31-14-6-5-7-15-31)57-48(63)41(55-45(60)36(51)18-12-13-21-50)25-32-27-53-37-19-10-8-16-34(32)37/h5-11,14-17,19-20,27-30,36,38-42,53H,12-13,18,21-26,50-51H2,1-4H3,(H2,52,59)(H,54,61)(H,55,60)(H,56,64)(H,57,63)(H,58,62)/t36-,38-,39-,40-,41+,42+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Leipzig
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay |
J Med Chem 55: 7437-49 (2012)
Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50396895
(CHEMBL2170694)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r| Show InChI InChI=1S/C53H68N8O6/c1-33(2)28-43(48(56)62)57-50(64)44(29-34(3)4)59-53(67)47(32-39-23-15-21-37-19-9-11-25-41(37)39)61-51(65)45(30-35-16-6-5-7-17-35)60-52(66)46(58-49(63)42(55)26-12-13-27-54)31-38-22-14-20-36-18-8-10-24-40(36)38/h5-11,14-25,33-34,42-47H,12-13,26-32,54-55H2,1-4H3,(H2,56,62)(H,57,64)(H,58,63)(H,59,67)(H,60,66)(H,61,65)/t42-,43-,44-,45-,46+,47+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 34.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Leipzig
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay |
J Med Chem 55: 7437-49 (2012)
Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50396894
(CHEMBL2170779)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r| Show InChI InChI=1S/C51H67N9O6/c1-31(2)24-41(46(54)61)56-48(63)42(25-32(3)4)58-50(65)44(28-34-21-22-35-16-8-9-17-36(35)26-34)60-49(64)43(27-33-14-6-5-7-15-33)59-51(66)45(57-47(62)39(53)19-12-13-23-52)29-37-30-55-40-20-11-10-18-38(37)40/h5-11,14-18,20-22,26,30-32,39,41-45,55H,12-13,19,23-25,27-29,52-53H2,1-4H3,(H2,54,61)(H,56,63)(H,57,62)(H,58,65)(H,59,66)(H,60,64)/t39-,41-,42-,43-,44+,45+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Leipzig
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay |
J Med Chem 55: 7437-49 (2012)
Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50396916
(CHEMBL2170780)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r| Show InChI InChI=1S/C51H67N9O6/c1-31(2)25-41(46(54)61)56-48(63)42(26-32(3)4)58-50(65)44(28-35-19-14-18-34-17-8-9-20-37(34)35)60-49(64)43(27-33-15-6-5-7-16-33)59-51(66)45(57-47(62)39(53)22-12-13-24-52)29-36-30-55-40-23-11-10-21-38(36)40/h5-11,14-21,23,30-32,39,41-45,55H,12-13,22,24-29,52-53H2,1-4H3,(H2,54,61)(H,56,63)(H,57,62)(H,58,65)(H,59,66)(H,60,64)/t39-,41-,42-,43-,44+,45+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 247 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Leipzig
Curated by ChEMBL
| Assay Description
Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay |
J Med Chem 55: 7437-49 (2012)
Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8 |
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 | 0.0370 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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 | 0.0860 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | 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 | 0.0920 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting method |
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 | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | 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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting method |
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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | BDBM50291709
(CHEMBL4160825)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C58H80N16O10/c1-33(2)28-44(72-53(81)45(30-34-12-4-3-5-13-34)71-50(78)40(59)29-35-21-23-38(75)24-22-35)52(80)73-46(31-37-16-8-15-36-14-6-7-17-39(36)37)54(82)69-42(19-10-26-67-58(64)65)56(84)74-27-11-20-47(74)55(83)68-41(18-9-25-66-57(62)63)51(79)70-43(49(61)77)32-48(60)76/h3-8,12-17,21-24,33,40-47,75H,9-11,18-20,25-32,59H2,1-2H3,(H2,60,76)(H2,61,77)(H,68,83)(H,69,82)(H,70,79)(H,71,78)(H,72,81)(H,73,80)(H4,62,63,66)(H4,64,65,67)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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 | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | 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 | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | 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 | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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 | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | BDBM50291700
(CHEMBL4175953)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C58H80N16O10/c1-33(2)27-44(72-54(82)45(30-34-11-4-3-5-12-34)71-50(78)40(59)29-35-19-22-39(75)23-20-35)52(80)73-46(31-36-18-21-37-13-6-7-14-38(37)28-36)53(81)69-42(16-9-25-67-58(64)65)56(84)74-26-10-17-47(74)55(83)68-41(15-8-24-66-57(62)63)51(79)70-43(49(61)77)32-48(60)76/h3-7,11-14,18-23,28,33,40-47,75H,8-10,15-17,24-27,29-32,59H2,1-2H3,(H2,60,76)(H2,61,77)(H,68,83)(H,69,81)(H,70,79)(H,71,78)(H,72,82)(H,73,80)(H4,62,63,66)(H4,64,65,67)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | 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
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GoogleScholar
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| PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting method |
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)) | 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
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| PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting method |
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)) | 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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PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting method |
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)) | 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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PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | 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
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| PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 0.880 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | BDBM50291717
(CHEMBL4164026)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C58H80N16O9/c1-34(2)28-44(72-54(81)45(31-35-14-5-3-6-15-35)71-50(77)40(59)30-37-23-24-38-18-9-10-19-39(38)29-37)52(79)73-46(32-36-16-7-4-8-17-36)53(80)69-42(21-12-26-67-58(64)65)56(83)74-27-13-22-47(74)55(82)68-41(20-11-25-66-57(62)63)51(78)70-43(49(61)76)33-48(60)75/h3-10,14-19,23-24,29,34,40-47H,11-13,20-22,25-28,30-33,59H2,1-2H3,(H2,60,75)(H2,61,76)(H,68,82)(H,69,80)(H,70,78)(H,71,77)(H,72,81)(H,73,79)(H4,62,63,66)(H4,64,65,67)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 0.970 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | 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
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| PC cid
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PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | BDBM50291698
(CHEMBL4167677)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C56H82N16O11/c1-30(2)23-42(70-51(80)43(27-33-11-6-5-7-12-33)69-48(77)38(57)26-34-16-18-35(73)19-17-34)50(79)71-44(28-37-31(3)24-36(74)25-32(37)4)52(81)67-40(14-9-21-65-56(62)63)54(83)72-22-10-15-45(72)53(82)66-39(13-8-20-64-55(60)61)49(78)68-41(47(59)76)29-46(58)75/h5-7,11-12,16-19,24-25,30,38-45,73-74H,8-10,13-15,20-23,26-29,57H2,1-4H3,(H2,58,75)(H2,59,76)(H,66,82)(H,67,81)(H,68,78)(H,69,77)(H,70,80)(H,71,79)(H4,60,61,64)(H4,62,63,65)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 | PDB
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PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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 2
(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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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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 2
(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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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting method |
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 2
(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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UniChem
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PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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 2
(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
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Similars
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PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting method |
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)) | BDBM50336620
(CHEMBL4173224)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C54H74N14O11/c1-30(2)22-39(63-49(75)41(24-33-14-8-5-9-15-33)65-52(78)44-26-34-18-19-36(70)25-35(34)29-68(44)31(3)69)48(74)64-40(23-32-12-6-4-7-13-32)50(76)66-42(28-55)53(79)67-21-11-17-43(67)51(77)61-37(16-10-20-60-54(58)59)47(73)62-38(46(57)72)27-45(56)71/h4-9,12-15,18-19,25,30,37-44,70H,10-11,16-17,20-24,26-29,55H2,1-3H3,(H2,56,71)(H2,57,72)(H,61,77)(H,62,73)(H,63,75)(H,64,74)(H,65,78)(H,66,76)(H4,58,59,60)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting method |
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 2
(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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | BDBM50336638
(CHEMBL4164987)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C58H82N16O11/c1-33(2)26-44(71-51(80)43(27-35-14-7-5-8-15-35)70-54(83)47-30-37-21-22-39(76)29-38(37)32-74(47)34(3)75)55(84)72(4)46(28-36-16-9-6-10-17-36)53(82)68-41(19-12-24-66-58(63)64)56(85)73-25-13-20-45(73)52(81)67-40(18-11-23-65-57(61)62)50(79)69-42(49(60)78)31-48(59)77/h5-10,14-17,21-22,29,33,40-47,76H,11-13,18-20,23-28,30-32H2,1-4H3,(H2,59,77)(H2,60,78)(H,67,81)(H,68,82)(H,69,79)(H,70,83)(H,71,80)(H4,61,62,65)(H4,63,64,66)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting method |
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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50260268
(CHEMBL501261 | rPKPfQwFwLL-NH2)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCN=C(N)N)C(N)=O |r,wU:91.97,75.80,55.65,41.56,82.94,30.40,16.28,64.77,8.12,wD:98.106,4.4,(32.88,-5.76,;32.94,-4.22,;34.29,-3.5,;31.62,-3.41,;31.68,-1.87,;30.37,-1.06,;29.01,-1.78,;28.96,-3.32,;27.71,-.97,;27.76,.56,;29.12,1.29,;29.17,2.83,;30.43,.48,;26.35,-1.69,;25.04,-.88,;25.1,.66,;23.69,-1.6,;23.63,-3.15,;24.94,-3.96,;26.37,-3.38,;27.35,-4.56,;26.54,-5.87,;26.96,-7.34,;25.9,-8.45,;24.4,-8.08,;23.97,-6.6,;25.05,-5.49,;22.38,-.79,;21.02,-1.51,;20.96,-3.05,;19.71,-.7,;19.76,.84,;21.12,1.56,;22.43,.75,;23.78,1.47,;23.84,3.02,;22.53,3.83,;21.17,3.11,;18.35,-1.43,;17.04,-.62,;17.09,.93,;15.68,-1.35,;15.63,-2.87,;16.93,-3.7,;18.37,-3.12,;19.35,-4.3,;18.54,-5.61,;18.97,-7.08,;17.9,-8.18,;16.4,-7.82,;15.97,-6.33,;17.04,-5.23,;14.38,-.52,;13,-1.22,;12.96,-2.76,;11.71,-.4,;11.75,1.13,;13.11,1.86,;13.16,3.4,;11.88,4.19,;14.52,4.12,;10.36,-1.15,;9.06,-.33,;9.1,1.22,;7.7,-1.05,;7.65,-2.58,;8.95,-3.4,;10.31,-2.68,;11.61,-3.49,;11.56,-5.03,;10.21,-5.76,;8.9,-4.94,;6.39,-.23,;5.03,-.95,;4.99,-2.49,;3.73,-.14,;3.87,1.41,;2.24,1.8,;1.35,.37,;2.44,-.91,;2.19,-2.43,;3.32,-3.48,;.73,-2.89,;-.6,-2.09,;-1.94,-2.83,;-3.26,-2.04,;-4.61,-2.78,;-5.93,-1.99,;.76,-4.43,;2.1,-5.19,;3.43,-4.4,;2.12,-6.72,;.73,-7.44,;1.29,-9.03,;2.96,-8.99,;3.46,-7.39,;4.8,-6.61,;4.78,-5.08,;6.14,-7.36,;7.47,-6.6,;6.16,-8.91,;7.48,-9.68,;7.48,-11.23,;8.8,-12.02,;8.78,-13.56,;7.44,-14.33,;10.1,-14.35,;33.03,-1.15,;34.35,-1.96,;33.09,.39,)| Show InChI InChI=1S/C79H109N19O12/c1-46(2)38-59(68(83)100)91-70(102)60(39-47(3)4)92-73(105)64(43-51-45-88-56-28-14-12-25-53(51)56)95-72(104)61(40-48-20-7-5-8-21-48)93-74(106)63(42-50-44-87-55-27-13-11-24-52(50)55)94-69(101)57(32-33-67(82)99)89-71(103)62(41-49-22-9-6-10-23-49)96-76(108)66-31-19-37-98(66)78(110)58(29-15-16-34-80)90-75(107)65-30-18-36-97(65)77(109)54(81)26-17-35-86-79(84)85/h5-14,20-25,27-28,44-47,54,57-66,87-88H,15-19,26,29-43,80-81H2,1-4H3,(H2,82,99)(H2,83,100)(H,89,103)(H,90,107)(H,91,102)(H,92,105)(H,93,106)(H,94,101)(H,95,104)(H,96,108)(H4,84,85,86)/t54-,57+,58+,59+,60+,61+,62-,63-,64-,65+,66+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK677 from human ghrelin receptor expressed in african green monkey COS7 cells |
J Biol Chem 282: 15799-811 (2007)
Article DOI: 10.1074/jbc.M609796200
BindingDB Entry DOI: 10.7270/Q2251HZ3 |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50291673
(CHEMBL4162868)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C57H82N16O12/c1-33(2)28-45(71-52(82)44(29-36-10-5-4-6-11-36)70-51(81)43(66-34(3)74)30-37-17-21-39(76)22-18-37)54(84)72(27-23-35-15-19-38(75)20-16-35)32-48(78)67-41(13-8-25-65-57(62)63)55(85)73-26-9-14-46(73)53(83)68-40(12-7-24-64-56(60)61)50(80)69-42(49(59)79)31-47(58)77/h4-6,10-11,15-22,33,40-46,75-76H,7-9,12-14,23-32H2,1-3H3,(H2,58,77)(H2,59,79)(H,66,74)(H,67,78)(H,68,83)(H,69,80)(H,70,81)(H,71,82)(H4,60,61,64)(H4,62,63,65)/t40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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 2
(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 | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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 2
(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 | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | BDBM50336619
(CHEMBL4167803)Show SMILES CNC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C57H82N16O11/c1-33(2)28-42(70-53(82)45(30-36-16-9-6-10-17-36)72-51(80)43(66-34(3)74)31-37-21-23-38(75)24-22-37)50(79)71-44(29-35-14-7-5-8-15-35)52(81)68-40(19-12-26-65-57(61)62)55(84)73-27-13-20-46(73)54(83)67-39(18-11-25-64-56(59)60)49(78)69-41(48(58)77)32-47(76)63-4/h5-10,14-17,21-24,33,39-46,75H,11-13,18-20,25-32H2,1-4H3,(H2,58,77)(H,63,76)(H,66,74)(H,67,83)(H,68,81)(H,69,78)(H,70,82)(H,71,79)(H,72,80)(H4,59,60,64)(H4,61,62,65)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting method |
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)) | BDBM50291712
(CHEMBL4169169)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C55H78N16O11/c1-30(2)23-42(69-49(78)41(25-31-9-4-3-5-10-31)68-47(76)37(56)24-32-14-17-35(72)18-15-32)53(82)71-29-34-26-36(73)19-16-33(34)27-44(71)51(80)66-39(12-7-21-64-55(61)62)52(81)70-22-8-13-43(70)50(79)65-38(11-6-20-63-54(59)60)48(77)67-40(46(58)75)28-45(57)74/h3-5,9-10,14-19,26,30,37-44,72-73H,6-8,11-13,20-25,27-29,56H2,1-2H3,(H2,57,74)(H2,58,75)(H,65,79)(H,66,80)(H,67,77)(H,68,76)(H,69,78)(H4,59,60,63)(H4,61,62,64)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | BDBM50336023
(CHEMBL4162351)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NC1(CCc2ccccc2C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C58H82N16O11/c1-33(2)28-43(70-51(81)45(29-35-12-5-4-6-13-35)71-50(80)44(67-34(3)75)30-36-19-21-39(76)22-20-36)52(82)73-58(24-23-37-14-7-8-15-38(37)32-58)55(85)72-41(17-10-26-66-57(63)64)54(84)74-27-11-18-46(74)53(83)68-40(16-9-25-65-56(61)62)49(79)69-42(48(60)78)31-47(59)77/h4-8,12-15,19-22,33,40-46,76H,9-11,16-18,23-32H2,1-3H3,(H2,59,77)(H2,60,78)(H,67,75)(H,68,83)(H,69,79)(H,70,81)(H,71,80)(H,72,85)(H,73,82)(H4,61,62,65)(H4,63,64,66)/t40-,41-,42-,43-,44-,45-,46-,58?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting method |
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 2
(Homo sapiens (Human)) | BDBM50291717
(CHEMBL4164026)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C58H80N16O9/c1-34(2)28-44(72-54(81)45(31-35-14-5-3-6-15-35)71-50(77)40(59)30-37-23-24-38-18-9-10-19-39(38)29-37)52(79)73-46(32-36-16-7-4-8-17-36)53(80)69-42(21-12-26-67-58(64)65)56(83)74-27-13-22-47(74)55(82)68-41(20-11-25-66-57(62)63)51(78)70-43(49(61)76)33-48(60)75/h3-10,14-19,23-24,29,34,40-47H,11-13,20-22,25-28,30-33,59H2,1-2H3,(H2,60,75)(H2,61,76)(H,68,82)(H,69,80)(H,70,78)(H,71,77)(H,72,81)(H,73,79)(H4,62,63,66)(H4,64,65,67)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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 2
(Homo sapiens (Human)) | BDBM50291671
(CHEMBL4166325)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C61H82N16O11/c1-35(2)28-46(74-57(86)49(30-38-16-8-5-9-17-38)76-55(84)47(70-36(3)78)31-39-22-24-42(79)25-23-39)54(83)75-48(29-37-14-6-4-7-15-37)56(85)72-44(21-13-27-69-61(66)67)59(88)77-34-41-19-11-10-18-40(41)32-50(77)58(87)71-43(20-12-26-68-60(64)65)53(82)73-45(52(63)81)33-51(62)80/h4-11,14-19,22-25,35,43-50,79H,12-13,20-21,26-34H2,1-3H3,(H2,62,80)(H2,63,81)(H,70,78)(H,71,87)(H,72,85)(H,73,82)(H,74,86)(H,75,83)(H,76,84)(H4,64,65,68)(H4,66,67,69)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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)) | BDBM50291711
(CHEMBL4169739)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)[C@H](Cc3ccc(O)cc3)NC(C)=O)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C60H86N16O11/c1-34(2)28-44(73-56(85)47(30-37-16-8-5-9-17-37)75-54(83)45(69-35(3)77)31-38-22-24-40(78)25-23-38)53(82)74-46(29-36-14-6-4-7-15-36)55(84)71-42(20-13-27-68-60(65)66)58(87)76-48-21-11-10-18-39(48)32-49(76)57(86)70-41(19-12-26-67-59(63)64)52(81)72-43(51(62)80)33-50(61)79/h4-9,14-17,22-25,34,39,41-49,78H,10-13,18-21,26-33H2,1-3H3,(H2,61,79)(H2,62,80)(H,69,77)(H,70,86)(H,71,84)(H,72,81)(H,73,85)(H,74,82)(H,75,83)(H4,63,64,67)(H4,65,66,68)/t39-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50260271
(CHEMBL500703 | RwFwLL-NH2)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCN=C(N)N)C(N)=O |r,wU:30.40,16.28,55.60,8.12,41.56,wD:4.4,(13.77,-48.69,;13.77,-47.15,;15.1,-46.38,;12.44,-46.38,;12.44,-44.84,;11.1,-44.08,;9.77,-44.85,;9.77,-46.39,;8.44,-44.08,;8.43,-42.54,;9.77,-41.77,;9.77,-40.23,;11.1,-42.54,;7.1,-44.85,;5.76,-44.09,;5.76,-42.55,;4.42,-44.86,;4.43,-46.4,;5.76,-47.16,;7.17,-46.53,;8.2,-47.68,;7.43,-49.01,;7.9,-50.48,;6.88,-51.62,;5.37,-51.3,;4.9,-49.84,;5.93,-48.69,;3.09,-44.08,;1.76,-44.85,;1.76,-46.39,;.43,-44.08,;.43,-42.55,;1.76,-41.77,;3.09,-42.54,;4.43,-41.77,;4.42,-40.23,;3.08,-39.47,;1.75,-40.24,;-.9,-44.85,;-2.24,-44.09,;-2.24,-42.56,;-3.57,-44.86,;-3.57,-46.4,;-2.24,-47.17,;-.84,-46.55,;.2,-47.69,;-.57,-49.02,;-.09,-50.48,;-1.13,-51.63,;-2.62,-51.31,;-3.1,-49.84,;-2.08,-48.7,;-4.9,-44.09,;-6.24,-44.86,;-6.24,-46.4,;-7.58,-44.09,;-8.89,-44.86,;-7.58,-42.55,;-6.24,-41.78,;-6.24,-40.24,;-4.91,-39.47,;-4.91,-37.93,;-6.23,-37.16,;-3.57,-37.15,;13.77,-44.07,;15.1,-44.85,;13.76,-42.53,)| Show InChI InChI=1S/C49H66N12O6/c1-28(2)21-38(43(51)62)57-45(64)39(22-29(3)4)59-48(67)42(25-32-27-56-37-19-11-9-16-34(32)37)61-46(65)40(23-30-13-6-5-7-14-30)60-47(66)41(24-31-26-55-36-18-10-8-15-33(31)36)58-44(63)35(50)17-12-20-54-49(52)53/h5-11,13-16,18-19,26-29,35,38-42,55-56H,12,17,20-25,50H2,1-4H3,(H2,51,62)(H,57,64)(H,58,63)(H,59,67)(H,60,66)(H,61,65)(H4,52,53,54)/t35-,38-,39-,40-,41+,42+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK677 from human ghrelin receptor expressed in african green monkey COS7 cells |
J Biol Chem 282: 15799-811 (2007)
Article DOI: 10.1074/jbc.M609796200
BindingDB Entry DOI: 10.7270/Q2251HZ3 |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Inhibition of ADP-mediated platelet aggregation in human gel-filtered platelets |
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 | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50260270
(CHEMBL506986 | KwFwLL-NH2)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r| Show InChI InChI=1S/C49H66N10O6/c1-29(2)22-39(44(52)60)55-46(62)40(23-30(3)4)57-49(65)43(26-33-28-54-38-20-11-9-17-35(33)38)59-47(63)41(24-31-14-6-5-7-15-31)58-48(64)42(56-45(61)36(51)18-12-13-21-50)25-32-27-53-37-19-10-8-16-34(32)37/h5-11,14-17,19-20,27-30,36,39-43,53-54H,12-13,18,21-26,50-51H2,1-4H3,(H2,52,60)(H,55,62)(H,56,61)(H,57,65)(H,58,64)(H,59,63)/t36-,39-,40-,41-,42+,43+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK677 from human ghrelin receptor expressed in african green monkey COS7 cells |
J Biol Chem 282: 15799-811 (2007)
Article DOI: 10.1074/jbc.M609796200
BindingDB Entry DOI: 10.7270/Q2251HZ3 |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50291710
(CHEMBL4176945)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)[C@@H](N)Cc3ccc(O)cc3)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C58H84N16O10/c1-33(2)27-43(72-54(82)44(29-34-13-5-3-6-14-34)71-50(78)39(59)28-36-21-23-38(75)24-22-36)52(80)73-45(30-35-15-7-4-8-16-35)53(81)69-41(19-12-26-67-58(64)65)56(84)74-46-20-10-9-17-37(46)31-47(74)55(83)68-40(18-11-25-66-57(62)63)51(79)70-42(49(61)77)32-48(60)76/h3-8,13-16,21-24,33,37,39-47,75H,9-12,17-20,25-32,59H2,1-2H3,(H2,60,76)(H2,61,77)(H,68,83)(H,69,81)(H,70,79)(H,71,78)(H,72,82)(H,73,80)(H4,62,63,66)(H4,64,65,67)/t37-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate |
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 2
(Homo sapiens (Human)) | BDBM50291672
(CHEMBL4173583)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C59H80N16O10/c1-34(2)27-45(73-55(83)46(29-35-13-5-3-6-14-35)72-51(79)41(60)28-37-21-23-40(76)24-22-37)53(81)74-47(30-36-15-7-4-8-16-36)54(82)70-43(20-12-26-68-59(65)66)57(85)75-33-39-18-10-9-17-38(39)31-48(75)56(84)69-42(19-11-25-67-58(63)64)52(80)71-44(50(62)78)32-49(61)77/h3-10,13-18,21-24,34,41-48,76H,11-12,19-20,25-33,60H2,1-2H3,(H2,61,77)(H2,62,78)(H,69,84)(H,70,82)(H,71,80)(H,72,79)(H,73,83)(H,74,81)(H4,63,64,67)(H4,65,66,68)/t41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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 2
(Homo sapiens (Human)) | BDBM50291711
(CHEMBL4169739)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)[C@H](Cc3ccc(O)cc3)NC(C)=O)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C60H86N16O11/c1-34(2)28-44(73-56(85)47(30-37-16-8-5-9-17-37)75-54(83)45(69-35(3)77)31-38-22-24-40(78)25-23-38)53(82)74-46(29-36-14-6-4-7-15-36)55(84)71-42(20-13-27-68-60(65)66)58(87)76-48-21-11-10-18-39(48)32-49(76)57(86)70-41(19-12-26-67-59(63)64)52(81)72-43(51(62)80)33-50(61)79/h4-9,14-17,22-25,34,39,41-49,78H,10-13,18-21,26-33H2,1-3H3,(H2,61,79)(H2,62,80)(H,69,77)(H,70,86)(H,71,84)(H,72,81)(H,73,85)(H,74,82)(H,75,83)(H4,63,64,67)(H4,65,66,68)/t39-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
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 | |
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