Found 2 hits Enz. Inhib. hit(s) with Target = 'Growth hormone secretagogue receptor type 1' and Ligand = 'BDBM50267264' 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)) | BDBM50267264
(CHEMBL504776)Show SMILES CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)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](CCCN=C(N)N)C(=O)N[C@@H](C(C)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)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:26.25,45.45,54.56,86.88,97.99,122.124,142.144,157.159,166.168,189.194,113.115,67.68,203.207,wD:37.37,58.59,77.79,133.135,151.153,178.182,185.190,194.198,211.215,223.229,227.232,11.11,15.17,104.106,(9.83,-8.53,;9.87,-6.99,;8.56,-6.19,;7.2,-6.92,;5.89,-6.11,;4.54,-6.84,;3.23,-6.03,;1.87,-6.76,;1.83,-8.3,;.56,-5.95,;-.79,-6.68,;-2.1,-5.87,;-3.46,-6.61,;-4.99,-6.6,;-5.76,-5.25,;-5.78,-7.93,;-5.01,-9.27,;-3.46,-9.28,;-7.32,-7.93,;-8.1,-9.26,;-7.33,-10.6,;-9.64,-9.26,;-10.42,-10.59,;-2.05,-4.33,;-3.36,-3.53,;-.7,-3.61,;-.65,-2.07,;-1.95,-1.25,;-1.9,.29,;-.55,1,;-.5,2.54,;-1.8,3.34,;-3.16,2.62,;-3.2,1.1,;.7,-1.34,;2.01,-2.16,;.76,.2,;2.13,.92,;3.44,.09,;4.79,.81,;6.09,0,;4.84,2.35,;2.19,2.46,;.88,3.28,;3.54,3.17,;3.73,4.7,;2.51,5.63,;2.71,7.16,;5.16,5.31,;6.37,4.38,;5.42,6.81,;4.37,8.12,;5.25,9.52,;6.87,9.09,;6.73,7.58,;8,6.74,;7.92,5.2,;9.39,7.43,;10.67,6.6,;10.58,5.07,;11.89,4.21,;11.81,2.69,;10.44,2.02,;13.11,1.84,;12.06,7.29,;12.15,8.84,;13.36,6.46,;14.73,7.15,;14.82,8.68,;16.18,9.39,;16.41,10.9,;17.92,11.15,;18.63,9.81,;17.56,8.71,;16.02,6.31,;15.92,4.79,;17.39,7.01,;18.68,6.18,;18.59,4.65,;17.23,3.97,;17.14,2.41,;18.44,1.57,;15.78,1.72,;20.05,6.88,;20.15,8.44,;21.34,6.05,;22.73,6.75,;22.81,8.3,;21.52,9.14,;21.59,10.67,;20.3,11.53,;20.38,13.04,;21.74,13.73,;19.09,13.92,;24,5.91,;23.92,4.39,;25.39,6.61,;26.67,5.77,;28.05,6.48,;28.15,8.03,;29.33,5.65,;26.59,4.25,;25.21,3.57,;27.88,3.41,;27.8,1.87,;26.43,1.17,;25.15,2.01,;23.76,1.31,;23.68,-.24,;22.48,2.14,;29.09,1.01,;30.48,1.72,;29.05,-.53,;30.31,-1.41,;31.69,-.72,;32.97,-1.55,;34.37,-.84,;34.45,.71,;35.63,-1.69,;30.23,-2.94,;28.87,-3.62,;31.53,-3.79,;31.45,-5.31,;32.75,-6.16,;34.12,-5.46,;35.4,-6.3,;36.8,-5.6,;38.07,-6.42,;37.98,-7.95,;39.46,-5.73,;30.08,-6.01,;28.81,-5.16,;29.99,-7.55,;28.63,-8.24,;27.35,-7.41,;27.44,-5.88,;26.15,-5.04,;26.23,-3.51,;24.93,-2.66,;28.55,-9.79,;29.84,-10.64,;27.19,-10.49,;27.1,-12.03,;28.4,-12.89,;29.78,-12.18,;31.06,-13.03,;31,-14.51,;32.45,-12.32,;25.74,-12.73,;24.46,-11.89,;25.64,-14.28,;24.28,-14.96,;23.01,-14.13,;21.65,-14.8,;24.2,-16.51,;25.5,-17.36,;22.84,-17.21,;22.76,-18.76,;24.05,-19.61,;25.45,-18.91,;26.71,-19.73,;28.11,-19.04,;29.39,-19.87,;21.39,-19.44,;20.11,-18.61,;21.3,-21,;22.6,-21.84,;23.99,-21.15,;25.27,-21.98,;25.19,-23.51,;26.49,-24.35,;26.41,-25.88,;22.51,-23.37,;23.83,-24.21,;21.15,-24.06,;19.62,-23.43,;18.52,-24.69,;19.39,-26.14,;20.82,-25.53,;22,-26.54,;23.42,-25.93,;21.8,-28.06,;20.4,-28.97,;20.82,-30.6,;22.51,-30.69,;22.81,-29.17,;24.3,-28.76,;24.68,-27.26,;25.4,-29.83,;26.88,-29.42,;27.27,-27.94,;27.98,-30.51,;27.59,-31.99,;29.46,-30.1,;30.56,-31.18,;30.18,-32.67,;31.27,-33.75,;30.88,-35.24,;31.99,-36.32,;31.59,-37.81,;32.05,-30.77,;32.43,-29.27,;33.16,-31.83,;34.65,-31.44,;35.05,-29.96,;36.52,-29.55,;36.92,-28.06,;37.63,-30.63,;35.75,-32.53,;35.37,-34.01,;37.24,-32.12,;38.33,-33.2,;37.95,-34.7,;36.46,-35.1,;36.08,-36.6,;34.59,-37.01,;37.17,-37.67,;39.82,-32.79,;40.2,-31.31,;40.92,-33.88,;40.8,-35.55,;42.34,-36.19,;43.43,-34.92,;42.41,-33.74,;42.98,-32.31,;42.03,-31.11,;44.51,-32.1,;45.09,-30.67,;46.61,-30.46,;47.56,-31.66,;49.09,-31.45,;50.04,-32.65,;51.57,-32.44,;52.14,-31.01,;52.52,-33.66,;44.14,-29.46,;42.61,-29.65,;44.71,-28.04,)| Show InChI InChI=1S/C149H250N48O41/c1-9-10-11-12-16-45-115(205)169-75-103(190-136(227)104(76-198)172-116(206)73-154)135(226)188-101(71-84-32-14-13-15-33-84)133(224)187-100(70-81(4)5)132(223)192-106(78-200)144(235)195-66-29-42-108(195)139(230)181-95(51-57-118(209)210)128(219)189-102(72-85-74-165-79-170-85)134(225)180-92(47-53-112(156)202)126(217)176-90(39-26-63-167-148(161)162)130(221)193-119(82(6)7)141(232)182-93(48-54-113(157)203)127(218)178-91(46-52-111(155)201)125(216)175-89(38-25-62-166-147(159)160)122(213)174-87(35-18-22-59-151)121(212)179-94(50-56-117(207)208)129(220)191-105(77-199)137(228)177-88(36-19-23-60-152)123(214)183-96(37-20-24-61-153)142(233)197-68-31-44-110(197)145(236)196-67-30-41-107(196)138(229)171-83(8)120(211)173-86(34-17-21-58-150)124(215)186-99(69-80(2)3)131(222)184-97(49-55-114(158)204)143(234)194-65-28-43-109(194)140(231)185-98(146(237)238)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,198-200H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,201)(H2,156,202)(H2,157,203)(H2,158,204)(H,165,170)(H,169,205)(H,171,229)(H,172,206)(H,173,211)(H,174,213)(H,175,216)(H,176,217)(H,177,228)(H,178,218)(H,179,212)(H,180,225)(H,181,230)(H,182,232)(H,183,214)(H,184,222)(H,185,231)(H,186,215)(H,187,224)(H,188,226)(H,189,219)(H,190,227)(H,191,220)(H,192,223)(H,193,221)(H,207,208)(H,209,210)(H,237,238)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,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-,119-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga... |
J Med Chem 43: 4370-6 (2000)
BindingDB Entry DOI: 10.7270/Q2T72GP0 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50267264
(CHEMBL504776)Show SMILES CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)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](CCCN=C(N)N)C(=O)N[C@@H](C(C)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)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:26.25,45.45,54.56,86.88,97.99,122.124,142.144,157.159,166.168,189.194,113.115,67.68,203.207,wD:37.37,58.59,77.79,133.135,151.153,178.182,185.190,194.198,211.215,223.229,227.232,11.11,15.17,104.106,(9.83,-8.53,;9.87,-6.99,;8.56,-6.19,;7.2,-6.92,;5.89,-6.11,;4.54,-6.84,;3.23,-6.03,;1.87,-6.76,;1.83,-8.3,;.56,-5.95,;-.79,-6.68,;-2.1,-5.87,;-3.46,-6.61,;-4.99,-6.6,;-5.76,-5.25,;-5.78,-7.93,;-5.01,-9.27,;-3.46,-9.28,;-7.32,-7.93,;-8.1,-9.26,;-7.33,-10.6,;-9.64,-9.26,;-10.42,-10.59,;-2.05,-4.33,;-3.36,-3.53,;-.7,-3.61,;-.65,-2.07,;-1.95,-1.25,;-1.9,.29,;-.55,1,;-.5,2.54,;-1.8,3.34,;-3.16,2.62,;-3.2,1.1,;.7,-1.34,;2.01,-2.16,;.76,.2,;2.13,.92,;3.44,.09,;4.79,.81,;6.09,0,;4.84,2.35,;2.19,2.46,;.88,3.28,;3.54,3.17,;3.73,4.7,;2.51,5.63,;2.71,7.16,;5.16,5.31,;6.37,4.38,;5.42,6.81,;4.37,8.12,;5.25,9.52,;6.87,9.09,;6.73,7.58,;8,6.74,;7.92,5.2,;9.39,7.43,;10.67,6.6,;10.58,5.07,;11.89,4.21,;11.81,2.69,;10.44,2.02,;13.11,1.84,;12.06,7.29,;12.15,8.84,;13.36,6.46,;14.73,7.15,;14.82,8.68,;16.18,9.39,;16.41,10.9,;17.92,11.15,;18.63,9.81,;17.56,8.71,;16.02,6.31,;15.92,4.79,;17.39,7.01,;18.68,6.18,;18.59,4.65,;17.23,3.97,;17.14,2.41,;18.44,1.57,;15.78,1.72,;20.05,6.88,;20.15,8.44,;21.34,6.05,;22.73,6.75,;22.81,8.3,;21.52,9.14,;21.59,10.67,;20.3,11.53,;20.38,13.04,;21.74,13.73,;19.09,13.92,;24,5.91,;23.92,4.39,;25.39,6.61,;26.67,5.77,;28.05,6.48,;28.15,8.03,;29.33,5.65,;26.59,4.25,;25.21,3.57,;27.88,3.41,;27.8,1.87,;26.43,1.17,;25.15,2.01,;23.76,1.31,;23.68,-.24,;22.48,2.14,;29.09,1.01,;30.48,1.72,;29.05,-.53,;30.31,-1.41,;31.69,-.72,;32.97,-1.55,;34.37,-.84,;34.45,.71,;35.63,-1.69,;30.23,-2.94,;28.87,-3.62,;31.53,-3.79,;31.45,-5.31,;32.75,-6.16,;34.12,-5.46,;35.4,-6.3,;36.8,-5.6,;38.07,-6.42,;37.98,-7.95,;39.46,-5.73,;30.08,-6.01,;28.81,-5.16,;29.99,-7.55,;28.63,-8.24,;27.35,-7.41,;27.44,-5.88,;26.15,-5.04,;26.23,-3.51,;24.93,-2.66,;28.55,-9.79,;29.84,-10.64,;27.19,-10.49,;27.1,-12.03,;28.4,-12.89,;29.78,-12.18,;31.06,-13.03,;31,-14.51,;32.45,-12.32,;25.74,-12.73,;24.46,-11.89,;25.64,-14.28,;24.28,-14.96,;23.01,-14.13,;21.65,-14.8,;24.2,-16.51,;25.5,-17.36,;22.84,-17.21,;22.76,-18.76,;24.05,-19.61,;25.45,-18.91,;26.71,-19.73,;28.11,-19.04,;29.39,-19.87,;21.39,-19.44,;20.11,-18.61,;21.3,-21,;22.6,-21.84,;23.99,-21.15,;25.27,-21.98,;25.19,-23.51,;26.49,-24.35,;26.41,-25.88,;22.51,-23.37,;23.83,-24.21,;21.15,-24.06,;19.62,-23.43,;18.52,-24.69,;19.39,-26.14,;20.82,-25.53,;22,-26.54,;23.42,-25.93,;21.8,-28.06,;20.4,-28.97,;20.82,-30.6,;22.51,-30.69,;22.81,-29.17,;24.3,-28.76,;24.68,-27.26,;25.4,-29.83,;26.88,-29.42,;27.27,-27.94,;27.98,-30.51,;27.59,-31.99,;29.46,-30.1,;30.56,-31.18,;30.18,-32.67,;31.27,-33.75,;30.88,-35.24,;31.99,-36.32,;31.59,-37.81,;32.05,-30.77,;32.43,-29.27,;33.16,-31.83,;34.65,-31.44,;35.05,-29.96,;36.52,-29.55,;36.92,-28.06,;37.63,-30.63,;35.75,-32.53,;35.37,-34.01,;37.24,-32.12,;38.33,-33.2,;37.95,-34.7,;36.46,-35.1,;36.08,-36.6,;34.59,-37.01,;37.17,-37.67,;39.82,-32.79,;40.2,-31.31,;40.92,-33.88,;40.8,-35.55,;42.34,-36.19,;43.43,-34.92,;42.41,-33.74,;42.98,-32.31,;42.03,-31.11,;44.51,-32.1,;45.09,-30.67,;46.61,-30.46,;47.56,-31.66,;49.09,-31.45,;50.04,-32.65,;51.57,-32.44,;52.14,-31.01,;52.52,-33.66,;44.14,-29.46,;42.61,-29.65,;44.71,-28.04,)| Show InChI InChI=1S/C149H250N48O41/c1-9-10-11-12-16-45-115(205)169-75-103(190-136(227)104(76-198)172-116(206)73-154)135(226)188-101(71-84-32-14-13-15-33-84)133(224)187-100(70-81(4)5)132(223)192-106(78-200)144(235)195-66-29-42-108(195)139(230)181-95(51-57-118(209)210)128(219)189-102(72-85-74-165-79-170-85)134(225)180-92(47-53-112(156)202)126(217)176-90(39-26-63-167-148(161)162)130(221)193-119(82(6)7)141(232)182-93(48-54-113(157)203)127(218)178-91(46-52-111(155)201)125(216)175-89(38-25-62-166-147(159)160)122(213)174-87(35-18-22-59-151)121(212)179-94(50-56-117(207)208)129(220)191-105(77-199)137(228)177-88(36-19-23-60-152)123(214)183-96(37-20-24-61-153)142(233)197-68-31-44-110(197)145(236)196-67-30-41-107(196)138(229)171-83(8)120(211)173-86(34-17-21-58-150)124(215)186-99(69-80(2)3)131(222)184-97(49-55-114(158)204)143(234)194-65-28-43-109(194)140(231)185-98(146(237)238)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,198-200H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,201)(H2,156,202)(H2,157,203)(H2,158,204)(H,165,170)(H,169,205)(H,171,229)(H,172,206)(H,173,211)(H,174,213)(H,175,216)(H,176,217)(H,177,228)(H,178,218)(H,179,212)(H,180,225)(H,181,230)(H,182,232)(H,183,214)(H,184,222)(H,185,231)(H,186,215)(H,187,224)(H,188,226)(H,189,219)(H,190,227)(H,191,220)(H,192,223)(H,193,221)(H,207,208)(H,209,210)(H,237,238)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,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-,119-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Western Ontario
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK-0677 from human growth hormone secretagogue receptor |
J Med Chem 52: 2196-203 (2009)
Article DOI: 10.1021/jm8014519
BindingDB Entry DOI: 10.7270/Q2X63NWQ |
More data for this
Ligand-Target Pair | |
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