Found 20 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 |
|---|
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
| PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ... |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102231
(2-(1-amino-1-methylethylcarboxamido)-3-[1-methylsu...)Show SMILES CCCCCCCC(=O)OC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C28H44N4O6S/c1-5-6-7-8-9-14-24(33)38-19-22(30-26(35)27(2,3)29)25(34)31-17-15-28(16-18-31)20-32(39(4,36)37)23-13-11-10-12-21(23)28/h10-13,22H,5-9,14-20,29H2,1-4H3,(H,30,35)/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ... |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102233
(1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3...)Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](COCc2ccccc2)NC(=O)[C@H](CO)NC(=O)CN)c2ccccc12 Show InChI InChI=1S/C28H37N5O7S/c1-41(38,39)33-19-28(21-9-5-6-10-24(21)33)11-13-32(14-12-28)27(37)23(18-40-17-20-7-3-2-4-8-20)31-26(36)22(16-34)30-25(35)15-29/h2-10,22-23,34H,11-19,29H2,1H3,(H,30,35)(H,31,36)/t22-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ... |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102236
(2-[1-aminomethylcarboxamido-2-hydroxy-(1S)-ethylca...)Show SMILES CCCCCCCC(=O)OC[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C29H45N5O8S/c1-3-4-5-6-7-12-26(37)42-19-23(32-27(38)22(18-35)31-25(36)17-30)28(39)33-15-13-29(14-16-33)20-34(43(2,40)41)24-11-9-8-10-21(24)29/h8-11,22-23,35H,3-7,12-20,30H2,1-2H3,(H,31,36)(H,32,38)/t22-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ... |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102232
(1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3...)Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](COCc2ccccc2)NC(=O)[C@@H](N)CO)c2ccccc12 Show InChI InChI=1S/C26H34N4O6S/c1-37(34,35)30-18-26(20-9-5-6-10-23(20)30)11-13-29(14-12-26)25(33)22(28-24(32)21(27)15-31)17-36-16-19-7-3-2-4-8-19/h2-10,21-22,31H,11-18,27H2,1H3,(H,28,32)/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ... |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102234
(2-(1-amino-1-methylethylcarboxamido)-3-[1-methylsu...)Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C28H44N4O6S/c1-5-6-7-8-9-14-24(33)38-19-22(30-26(35)27(2,3)29)25(34)31-17-15-28(16-18-31)20-32(39(4,36)37)23-13-11-10-12-21(23)28/h10-13,22H,5-9,14-20,29H2,1-4H3,(H,30,35)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 591 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ... |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102235
(2-[1-amino-2-hydroxy-(1S)-ethylcarboxamido]-3-[1-m...)Show SMILES CCCCCCCC(=O)OC[C@@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H42N4O7S/c1-3-4-5-6-7-12-24(33)38-18-22(29-25(34)21(28)17-32)26(35)30-15-13-27(14-16-30)19-31(39(2,36)37)23-11-9-8-10-20(23)27/h8-11,21-22,32H,3-7,12-19,28H2,1-2H3,(H,29,34)/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 829 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ... |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102238
(2-[1-[1-aminomethylcarboxamido-2-heptylcarbonyloxy...)Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C25H38N4O8/c1-2-3-4-5-9-12-22(32)37-16-20(27-21(31)14-26)24(34)29-19(15-30)23(33)28-18(25(35)36)13-17-10-7-6-8-11-17/h6-8,10-11,18-20,30H,2-5,9,12-16,26H2,1H3,(H,27,31)(H,28,33)(H,29,34)(H,35,36)/t18-,19-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 889 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ... |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102239
(2-[1-aminomethylcarboxamido-2-hydroxy-(1S)-ethylca...)Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C29H45N5O8S/c1-3-4-5-6-7-12-26(37)42-19-23(32-27(38)22(18-35)31-25(36)17-30)28(39)33-15-13-29(14-16-33)20-34(43(2,40)41)24-11-9-8-10-21(24)29/h8-11,22-23,35H,3-7,12-20,30H2,1-2H3,(H,31,36)(H,32,38)/t22-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102236
(2-[1-aminomethylcarboxamido-2-hydroxy-(1S)-ethylca...)Show SMILES CCCCCCCC(=O)OC[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C29H45N5O8S/c1-3-4-5-6-7-12-26(37)42-19-23(32-27(38)22(18-35)31-25(36)17-30)28(39)33-15-13-29(14-16-33)20-34(43(2,40)41)24-11-9-8-10-21(24)29/h8-11,22-23,35H,3-7,12-20,30H2,1-2H3,(H,31,36)(H,32,38)/t22-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 68 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ... |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102238
(2-[1-[1-aminomethylcarboxamido-2-heptylcarbonyloxy...)Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C25H38N4O8/c1-2-3-4-5-9-12-22(32)37-16-20(27-21(31)14-26)24(34)29-19(15-30)23(33)28-18(25(35)36)13-17-10-7-6-8-11-17/h6-8,10-11,18-20,30H,2-5,9,12-16,26H2,1H3,(H,27,31)(H,28,33)(H,29,34)(H,35,36)/t18-,19-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 72 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102239
(2-[1-aminomethylcarboxamido-2-hydroxy-(1S)-ethylca...)Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C29H45N5O8S/c1-3-4-5-6-7-12-26(37)42-19-23(32-27(38)22(18-35)31-25(36)17-30)28(39)33-15-13-29(14-16-33)20-34(43(2,40)41)24-11-9-8-10-21(24)29/h8-11,22-23,35H,3-7,12-20,30H2,1-2H3,(H,31,36)(H,32,38)/t22-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 449 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102234
(2-(1-amino-1-methylethylcarboxamido)-3-[1-methylsu...)Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C28H44N4O6S/c1-5-6-7-8-9-14-24(33)38-19-22(30-26(35)27(2,3)29)25(34)31-17-15-28(16-18-31)20-32(39(4,36)37)23-13-11-10-12-21(23)28/h10-13,22H,5-9,14-20,29H2,1-4H3,(H,30,35)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 378 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102232
(1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3...)Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](COCc2ccccc2)NC(=O)[C@@H](N)CO)c2ccccc12 Show InChI InChI=1S/C26H34N4O6S/c1-37(34,35)30-18-26(20-9-5-6-10-23(20)30)11-13-29(14-12-26)25(33)22(28-24(32)21(27)15-31)17-36-16-19-7-3-2-4-8-19/h2-10,21-22,31H,11-18,27H2,1H3,(H,28,32)/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 69 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ... |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102231
(2-(1-amino-1-methylethylcarboxamido)-3-[1-methylsu...)Show SMILES CCCCCCCC(=O)OC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C28H44N4O6S/c1-5-6-7-8-9-14-24(33)38-19-22(30-26(35)27(2,3)29)25(34)31-17-15-28(16-18-31)20-32(39(4,36)37)23-13-11-10-12-21(23)28/h10-13,22H,5-9,14-20,29H2,1-4H3,(H,30,35)/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102233
(1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3...)Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](COCc2ccccc2)NC(=O)[C@H](CO)NC(=O)CN)c2ccccc12 Show InChI InChI=1S/C28H37N5O7S/c1-41(38,39)33-19-28(21-9-5-6-10-24(21)33)11-13-32(14-12-28)27(37)23(18-40-17-20-7-3-2-4-8-20)31-26(36)22(16-34)30-25(35)15-29/h2-10,22-23,34H,11-19,29H2,1H3,(H,30,35)(H,31,36)/t22-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
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
| PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50102235
(2-[1-amino-2-hydroxy-(1S)-ethylcarboxamido]-3-[1-m...)Show SMILES CCCCCCCC(=O)OC[C@@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H42N4O7S/c1-3-4-5-6-7-12-24(33)38-18-22(29-25(34)21(28)17-32)26(35)30-15-13-27(14-16-30)19-31(39(2,36)37)23-11-9-8-10-20(23)27/h8-11,21-22,32H,3-7,12-19,28H2,1-2H3,(H,29,34)/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 432 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ... |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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