Found 1013 hits with Last Name = 'gordon' and Initial = 'da' 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 |
|---|
Apelin receptor
(Homo sapiens (Human)) | BDBM50567169
(CHEMBL4873876)Show SMILES CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cn3)o2)c(O)c1-c1c(OC)cccc1OC |(19.32,-34.97,;20.66,-35.74,;21.99,-34.96,;23.33,-35.72,;24.66,-34.94,;24.64,-33.41,;25.98,-32.63,;25.97,-31.09,;27.32,-33.39,;28.65,-32.62,;28.8,-31.09,;30.31,-30.76,;31.08,-32.09,;32.61,-32.25,;33.24,-33.66,;34.77,-33.81,;35.4,-35.21,;34.5,-36.46,;35.12,-37.87,;32.96,-36.3,;32.34,-34.9,;30.05,-33.24,;27.32,-34.93,;28.65,-35.71,;25.99,-35.7,;26,-37.24,;24.67,-38.01,;23.34,-37.25,;22.01,-38.02,;24.67,-39.55,;26,-40.32,;27.34,-39.55,;27.33,-38,;28.67,-37.23,;30,-38,)| | PDB
Reactome pathway
KEGG
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PC sid
UniChem
| Article
PubMed
| 0.0740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]Apelin-13 from human APJ receptor stably expressed in human HEK293 cell membrane incubated for 120 mins by TopCount scintillation... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01878
BindingDB Entry DOI: 10.7270/Q20G3PXZ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50014619
(CHEMBL3184840)Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | PDB
Reactome pathway
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UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]Apelin-13 from human APJ receptor stably expressed in human HEK293 cell membrane incubated for 120 mins by TopCount scintillation... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01878
BindingDB Entry DOI: 10.7270/Q20G3PXZ |
More data for this
Ligand-Target Pair | |
Motilin receptor
(Homo sapiens (Human)) | BDBM50143028
(8'N-[1-[1-carbamoyl-3-phenyl-(1S)-propylcarbamoyl]...)Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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| Article
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards human motilin receptor |
J Med Chem 47: 1704-8 (2004)
Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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PDB
UniChem
| PDB
Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307
BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Motilin receptor
(Homo sapiens (Human)) | BDBM50143032
(8'N-[1-(1-carbamoyl-3-phenylpropylcarbamoyl)-3-phe...)Show SMILES NC(=O)C(CCc1ccccc1)NC(=O)C(CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49) | PDB
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards human motilin receptor |
J Med Chem 47: 1704-8 (2004)
Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC |
More data for this
Ligand-Target Pair | |
Motilin receptor
(Homo sapiens (Human)) | BDBM50143038
(8'N-[1-[1-carbamoyl-3-phenyl-(1S)-propylcarbamoyl]...)Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:30| Show InChI InChI=1S/C39H43N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16-18,23,29-31,41H,11-12,14-15,19-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m0/s1 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards human motilin receptor |
J Med Chem 47: 1704-8 (2004)
Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC |
More data for this
Ligand-Target Pair | |
Motilin receptor
(Homo sapiens (Human)) | BDBM50143039
(8'N-[1-[1-carbamoyl-3-phenyl-(1R)-propylcarbamoyl]...)Show SMILES NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards human motilin receptor |
J Med Chem 47: 1704-8 (2004)
Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC |
More data for this
Ligand-Target Pair | |
Motilin receptor
(Homo sapiens (Human)) | BDBM50143037
(CHEMBL411576 | MOTILIN)Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCSC)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CCC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(N)=O)C(O)=O Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133) | PDB
Reactome pathway
KEGG
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CHEMBL
PC cid
PC sid
UniChem
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PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards human motilin receptor |
J Med Chem 47: 1704-8 (2004)
Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC |
More data for this
Ligand-Target Pair | |
Motilin receptor
(Homo sapiens (Human)) | BDBM50344952
((2R,3S,4R,5R,8R,9S,10S,11R,12S)-5-ethyl-11-((2S,3R...)Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C |wU:24.24,8.8,29.33,36.38,6.6,20.21,2.1,12.12,26.27,wD:22.23,10.9,30.32,45.48,12.18,43.46,47.51,15.15,c:42,(6.35,-6.68,;6.37,-5.14,;7.71,-4.39,;7.7,-5.93,;9.03,-6.7,;9.01,-8.24,;10.37,-5.93,;11.7,-6.7,;10.37,-4.39,;11.7,-5.16,;13.03,-5.93,;13.03,-7.47,;14.35,-8.24,;13.56,-9.57,;15.69,-7.47,;15.69,-5.95,;17.02,-5.16,;14.36,-5.16,;15.1,-9.57,;16.64,-9.57,;11.71,-3.64,;13.04,-4.42,;11.72,-2.1,;13.05,-1.34,;14.38,-.56,;15.71,-1.31,;17.04,-.56,;18.37,-1.33,;17.04,.98,;15.71,1.77,;14.38,.98,;13.05,1.75,;15.71,3.31,;17.04,4.08,;14.38,4.08,;14.38,5.62,;10.39,-1.31,;11.72,-.54,;10.39,.23,;9.06,1,;9.08,2.54,;7.73,.23,;8.82,-.85,;7.72,-1.31,;6.38,-.54,;6.39,-2.08,;5.06,-1.29,;6.38,-3.62,;5.04,-4.35,)| Show InChI InChI=1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards human motilin receptor |
J Med Chem 47: 1704-8 (2004)
Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50239606
(CHEMBL4080667)Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)[C@H]3O)c1ccccc1 |r,wD:17.21,TLB:16:15:8.9.10:12,7:8:14.16.15:10.11.12,7:8:12:14.15.17,THB:16:9:12:14.15.17,18:17:8.9.10:12,17:15:8:10.11.12,17:11:8:14.16.15,19:8:14.16.15:10.11.12,19:8:12:14.15.17,(43.24,-21.55,;43.72,-20.08,;43.03,-18.71,;44.4,-18.01,;45.1,-19.38,;44.88,-16.54,;43.63,-15.64,;46.35,-16.07,;47.49,-17.11,;48.99,-16.68,;48.98,-15.1,;50.02,-13.87,;48.67,-14.34,;48.68,-15.83,;50,-16.32,;51.4,-15.97,;50.4,-17.25,;51.42,-14.44,;52.71,-13.59,;47.48,-18.64,;46.13,-19.39,;46.12,-20.93,;47.44,-21.71,;48.79,-20.95,;48.79,-19.41,)| Show InChI InChI=1S/C21H27NO3/c23-18-11-22(12-18)19(24)10-21(15-4-2-1-3-5-15)16-6-13-7-17(21)9-14(8-16)20(13)25/h1-5,13-14,16-18,20,23,25H,6-12H2/t13?,14?,16?,17?,20-,21? | PDB
MMDB
Reactome pathway
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after... |
J Med Chem 60: 4932-4948 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00211
BindingDB Entry DOI: 10.7270/Q2DV1N23 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50371684
(CHEMBL270666)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccc1O)CC#N Show InChI InChI=1S/C24H29N7O4/c1-24(2,26)23(33)27-19(16-34-14-17-8-4-3-5-9-17)22-28-29-30-31(22)18(12-13-25)15-35-21-11-7-6-10-20(21)32/h3-11,18-19,32H,12,14-16,26H2,1-2H3,(H,27,33)/t18-,19-/m1/s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50371688
(CHEMBL404545)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccc1)CC#N Show InChI InChI=1S/C24H29N7O3/c1-24(2,26)23(32)27-21(17-33-15-18-9-5-3-6-10-18)22-28-29-30-31(22)19(13-14-25)16-34-20-11-7-4-8-12-20/h3-12,19,21H,13,15-17,26H2,1-2H3,(H,27,32)/t19-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202086
(CHEMBL219142 | N-[(E)-5-hydroxy-2-adamantyl]-2-{4-...)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:4:3:30:6.5.7,4:5:2.3.29:30,THB:7:5:2:29.28.30,7:28:2:6.4.5,8:7:2.3.29:30,(1.8,-8.48,;3.15,-9.25,;1.93,-10.52,;3.44,-10.11,;4.84,-10.69,;5.87,-9.43,;4.47,-9.76,;5.9,-7.9,;7.19,-7.07,;8.56,-7.77,;8.64,-9.31,;9.85,-6.93,;11.23,-7.63,;11.25,-9.18,;12.59,-9.92,;13.92,-9.13,;13.88,-7.59,;12.53,-6.84,;15.23,-9.92,;15.2,-11.46,;16.52,-12.26,;17.87,-11.51,;17.89,-9.96,;16.57,-9.18,;19.19,-12.31,;20.51,-13.07,;18.4,-13.63,;19.98,-10.98,;4.51,-7.31,;3.45,-8.53,;3.16,-7.77,)| Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-1-2-18(26-12-17)29-5-3-28(4-6-29)13-19(30)27-20-15-7-14-8-16(20)11-21(31,9-14)10-15/h1-2,12,14-16,20,31H,3-11,13H2,(H,27,30)/t14?,15?,16?,20-,21- | PDB
MMDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD-1 |
Bioorg Med Chem Lett 21: 6699-704 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.055
BindingDB Entry DOI: 10.7270/Q2Q240NV |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50264523
((S)-N-benzyl-2-(3-chlorophenoxy)-N-((R)-pyrrolidin...)Show SMILES C[C@H](Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)Cc1ccccc1 |r| Show InChI InChI=1S/C21H25ClN2O2/c1-16(26-20-11-5-9-18(22)13-20)21(25)24(15-19-10-6-12-23-19)14-17-7-3-2-4-8-17/h2-5,7-9,11,13,16,19,23H,6,10,12,14-15H2,1H3/t16-,19+/m0/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Binding affinity to GHSR (unknown origin) |
Bioorg Med Chem Lett 18: 5083-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50264552
((S)-2-(3-Chloro-phenoxy)-N-(2-methyl-benzyl)-N-(R)...)Show SMILES C[C@H](Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)Cc1ccccc1C |r| Show InChI InChI=1S/C22H27ClN2O2/c1-16-7-3-4-8-18(16)14-25(15-20-10-6-12-24-20)22(26)17(2)27-21-11-5-9-19(23)13-21/h3-5,7-9,11,13,17,20,24H,6,10,12,14-15H2,1-2H3/t17-,20+/m0/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Binding affinity to GHSR (unknown origin) |
Bioorg Med Chem Lett 18: 5083-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50371686
(CHEMBL271876)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccn1)CC#N Show InChI InChI=1S/C23H28N8O3/c1-23(2,25)22(32)27-19(16-33-14-17-8-4-3-5-9-17)21-28-29-30-31(21)18(11-12-24)15-34-20-10-6-7-13-26-20/h3-10,13,18-19H,11,14-16,25H2,1-2H3,(H,27,32)/t18-,19-/m1/s1 | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50264357
(2-(3-Chloro-phenoxy)-N-(2-methyl-benzyl)-N-(R)-1-p...)Show SMILES CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)Cc1ccccc1C |r| Show InChI InChI=1S/C22H27ClN2O2/c1-16-7-3-4-8-18(16)14-25(15-20-10-6-12-24-20)22(26)17(2)27-21-11-5-9-19(23)13-21/h3-5,7-9,11,13,17,20,24H,6,10,12,14-15H2,1-2H3/t17?,20-/m1/s1 | PDB
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| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Binding affinity to GHSR (unknown origin) |
Bioorg Med Chem Lett 18: 5083-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222142
((S,E)-2-amino-N-(2-(benzyloxy)-1-(1-cinnamyl-1H-te...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C\C=C\c1ccccc1 Show InChI InChI=1S/C23H28N6O2/c1-23(2,24)22(30)25-20(17-31-16-19-12-7-4-8-13-19)21-26-27-28-29(21)15-9-14-18-10-5-3-6-11-18/h3-14,20H,15-17,24H2,1-2H3,(H,25,30)/b14-9+/t20-/m1/s1 | PDB
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| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50371687
(CHEMBL272085)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](COc1ccccc1)CC#N Show InChI InChI=1S/C24H29N7O3/c1-24(2,26)23(32)27-21(17-33-15-18-9-5-3-6-10-18)22-28-29-30-31(22)19(13-14-25)16-34-20-11-7-4-8-12-20/h3-12,19,21H,13,15-17,26H2,1-2H3,(H,27,32)/t19-,21+/m0/s1 | PDB
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| 197 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222164
((S)-2-amino-N-(2-(benzyloxy)-1-(1-(3-phenylpropyl)...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCc1ccccc1 Show InChI InChI=1S/C23H30N6O2/c1-23(2,24)22(30)25-20(17-31-16-19-12-7-4-8-13-19)21-26-27-28-29(21)15-9-14-18-10-5-3-6-11-18/h3-8,10-13,20H,9,14-17,24H2,1-2H3,(H,25,30)/t20-/m1/s1 | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222164
((S)-2-amino-N-(2-(benzyloxy)-1-(1-(3-phenylpropyl)...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCc1ccccc1 Show InChI InChI=1S/C23H30N6O2/c1-23(2,24)22(30)25-20(17-31-16-19-12-7-4-8-13-19)21-26-27-28-29(21)15-9-14-18-10-5-3-6-11-18/h3-8,10-13,20H,9,14-17,24H2,1-2H3,(H,25,30)/t20-/m1/s1 | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50371683
(CHEMBL410060)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](COc1ccccc1O)CC#N Show InChI InChI=1S/C24H29N7O4/c1-24(2,26)23(33)27-19(16-34-14-17-8-4-3-5-9-17)22-28-29-30-31(22)18(12-13-25)15-35-21-11-7-6-10-20(21)32/h3-11,18-19,32H,12,14-16,26H2,1-2H3,(H,27,33)/t18-,19+/m0/s1 | PDB
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| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50264521
((S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-((...)Show SMILES C[C@H](Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1ccc(NC(C)=O)cc1 |r| Show InChI InChI=1S/C22H26ClN3O3/c1-15(29-21-7-3-5-17(23)13-21)22(28)26(14-19-6-4-12-24-19)20-10-8-18(9-11-20)25-16(2)27/h3,5,7-11,13,15,19,24H,4,6,12,14H2,1-2H3,(H,25,27)/t15-,19+/m0/s1 | PDB
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Binding affinity to GHSR (unknown origin) |
Bioorg Med Chem Lett 18: 5083-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50264486
(CHEMBL489401 | N-(4-acetamidophenyl)-2-(3-chloroph...)Show SMILES CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1ccc(NC(C)=O)cc1 |r| Show InChI InChI=1S/C22H26ClN3O3/c1-15(29-21-7-3-5-17(23)13-21)22(28)26(14-19-6-4-12-24-19)20-10-8-18(9-11-20)25-16(2)27/h3,5,7-11,13,15,19,24H,4,6,12,14H2,1-2H3,(H,25,27)/t15?,19-/m1/s1 | PDB
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| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Binding affinity to GHSR (unknown origin) |
Bioorg Med Chem Lett 18: 5083-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50371693
(CHEMBL402086)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CC(Cc1ccccc1)C#N |w:23.24| Show InChI InChI=1S/C24H29N7O2/c1-24(2,26)23(32)27-21(17-33-16-19-11-7-4-8-12-19)22-28-29-30-31(22)15-20(14-25)13-18-9-5-3-6-10-18/h3-12,20-21H,13,15-17,26H2,1-2H3,(H,27,32)/t20?,21-/m1/s1 | PDB
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| 298 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50264256
(CHEMBL489370 | N-benzyl-2-(3-chlorophenoxy)-N-((R)...)Show SMILES CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)Cc1ccccc1 |r| Show InChI InChI=1S/C21H25ClN2O2/c1-16(26-20-11-5-9-18(22)13-20)21(25)24(15-19-10-6-12-23-19)14-17-7-3-2-4-8-17/h2-5,7-9,11,13,16,19,23H,6,10,12,14-15H2,1H3/t16?,19-/m1/s1 | PDB
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Binding affinity to GHSR (unknown origin) |
Bioorg Med Chem Lett 18: 5083-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222147
((S)-benzyl 5-(5-(1-(2-amino-2-methylpropanamido)-2...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCCCNC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H37N7O4/c1-27(2,28)25(35)30-23(20-37-18-21-12-6-3-7-13-21)24-31-32-33-34(24)17-11-5-10-16-29-26(36)38-19-22-14-8-4-9-15-22/h3-4,6-9,12-15,23H,5,10-11,16-20,28H2,1-2H3,(H,29,36)(H,30,35)/t23-/m1/s1 | PDB
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| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB
MMDB
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Article
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| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant mouse 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307
BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222136
(CHEMBL235793 | methyl 2-(5-((S)-1-(2-amino-2-methy...)Show SMILES COC(=O)C(c1ccccc1)n1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N |w:4.3| Show InChI InChI=1S/C23H28N6O4/c1-23(2,24)22(31)25-18(15-33-14-16-10-6-4-7-11-16)20-26-27-28-29(20)19(21(30)32-3)17-12-8-5-9-13-17/h4-13,18-19H,14-15,24H2,1-3H3,(H,25,31)/t18-,19?/m1/s1 | PDB
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| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50371685
(CHEMBL270876)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](COc1ccccn1)CC#N Show InChI InChI=1S/C23H28N8O3/c1-23(2,25)22(32)27-19(16-33-14-17-8-4-3-5-9-17)21-28-29-30-31(21)18(11-12-24)15-34-20-10-6-7-13-26-20/h3-10,13,18-19H,11,14-16,25H2,1-2H3,(H,27,32)/t18-,19+/m0/s1 | PDB
Reactome pathway
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| 503 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50371691
(CHEMBL270851)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(C#N)c1ccccc1 |w:24.25| Show InChI InChI=1S/C24H29N7O2/c1-24(2,26)23(32)27-21(17-33-16-18-9-5-3-6-10-18)22-28-29-30-31(22)14-13-20(15-25)19-11-7-4-8-12-19/h3-12,20-21H,13-14,16-17,26H2,1-2H3,(H,27,32)/t20?,21-/m1/s1 | PDB
Reactome pathway
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| 611 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50371689
(CHEMBL256235)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(COc1ccccc1F)CC#N |w:22.34| Show InChI InChI=1S/C24H28FN7O3/c1-24(2,27)23(33)28-20(16-34-14-17-8-4-3-5-9-17)22-29-30-31-32(22)18(12-13-26)15-35-21-11-7-6-10-19(21)25/h3-11,18,20H,12,14-16,27H2,1-2H3,(H,28,33)/t18?,20-/m1/s1 | PDB
Reactome pathway
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| 696 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50371689
(CHEMBL256235)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(COc1ccccc1F)CC#N |w:22.34| Show InChI InChI=1S/C24H28FN7O3/c1-24(2,27)23(33)28-20(16-34-14-17-8-4-3-5-9-17)22-29-30-31-32(22)18(12-13-26)15-35-21-11-7-6-10-19(21)25/h3-11,18,20H,12,14-16,27H2,1-2H3,(H,28,33)/t18?,20-/m1/s1 | PDB
Reactome pathway
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| 696 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50371697
(CHEMBL404336)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)\C=C\c1ccccc1 |w:22.24| Show InChI InChI=1S/C25H29N7O2/c1-25(2,27)24(33)28-22(18-34-17-20-11-7-4-8-12-20)23-29-30-31-32(23)21(15-16-26)14-13-19-9-5-3-6-10-19/h3-14,21-22H,15,17-18,27H2,1-2H3,(H,28,33)/b14-13+/t21?,22-/m1/s1 | PDB
Reactome pathway
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| 737 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50371697
(CHEMBL404336)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)\C=C\c1ccccc1 |w:22.24| Show InChI InChI=1S/C25H29N7O2/c1-25(2,27)24(33)28-22(18-34-17-20-11-7-4-8-12-20)23-29-30-31-32(23)21(15-16-26)14-13-19-9-5-3-6-10-19/h3-14,21-22H,15,17-18,27H2,1-2H3,(H,28,33)/b14-13+/t21?,22-/m1/s1 | PDB
Reactome pathway
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| 737 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222157
(2-amino-N-{(S)-2-benzyloxy-1-[1-(2-phenethylcarbam...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H33N7O3/c1-25(2,26)24(34)28-21(18-35-17-20-11-7-4-8-12-20)23-29-30-31-32(23)16-14-22(33)27-15-13-19-9-5-3-6-10-19/h3-12,21H,13-18,26H2,1-2H3,(H,27,33)(H,28,34)/t21-/m1/s1 | PDB
Reactome pathway
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| 780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222166
(2-amino-N-((S)-2-benzyloxy-1-{1-[2-(3-phenyl-propy...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCCCc1ccccc1 Show InChI InChI=1S/C26H35N7O3/c1-26(2,27)25(35)29-22(19-36-18-21-12-7-4-8-13-21)24-30-31-32-33(24)17-15-23(34)28-16-9-14-20-10-5-3-6-11-20/h3-8,10-13,22H,9,14-19,27H2,1-2H3,(H,28,34)(H,29,35)/t22-/m1/s1 | PDB
Reactome pathway
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| 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222162
((S)-2-amino-N-(2-(benzyloxy)-1-(1-(2-(1-(methylsul...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1cc2ccccc2n1S(C)(=O)=O Show InChI InChI=1S/C25H31N7O4S/c1-25(2,26)24(33)27-21(17-36-16-18-9-5-4-6-10-18)23-28-29-30-31(23)14-13-20-15-19-11-7-8-12-22(19)32(20)37(3,34)35/h4-12,15,21H,13-14,16-17,26H2,1-3H3,(H,27,33)/t21-/m1/s1 | PDB
Reactome pathway
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| 970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222167
(2-amino-N-{(S)-1-[1-(2-benzylcarbamoyl-ethyl)-1H-t...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H31N7O3/c1-24(2,25)23(33)27-20(17-34-16-19-11-7-4-8-12-19)22-28-29-30-31(22)14-13-21(32)26-15-18-9-5-3-6-10-18/h3-12,20H,13-17,25H2,1-2H3,(H,26,32)(H,27,33)/t20-/m1/s1 | PDB
Reactome pathway
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| 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222173
((S)-2-amino-N-(2-(benzyloxy)-1-(2-(2-(1-(methylsul...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCc2cc3ccccc3n2S(C)(=O)=O)n1 Show InChI InChI=1S/C25H31N7O4S/c1-25(2,26)24(33)27-21(17-36-16-18-9-5-4-6-10-18)23-28-30-31(29-23)14-13-20-15-19-11-7-8-12-22(19)32(20)37(3,34)35/h4-12,15,21H,13-14,16-17,26H2,1-3H3,(H,27,33)/t21-/m1/s1 | PDB
Reactome pathway
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| 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222150
(2-amino-N-{(R)-1-[1-(2-butylcarbamoyl-ethyl)-1H-te...)Show SMILES CCCCNC(=O)CCn1nnnc1[C@@H](CCc1ccccc1)NC(=O)C(C)(C)N Show InChI InChI=1S/C21H33N7O2/c1-4-5-14-23-18(29)13-15-28-19(25-26-27-28)17(24-20(30)21(2,3)22)12-11-16-9-7-6-8-10-16/h6-10,17H,4-5,11-15,22H2,1-3H3,(H,23,29)(H,24,30)/t17-/m1/s1 | PDB
Reactome pathway
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| 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50371695
(CHEMBL403180)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CCc1ccccc1)CC#N |w:22.33| Show InChI InChI=1S/C25H31N7O2/c1-25(2,27)24(33)28-22(18-34-17-20-11-7-4-8-12-20)23-29-30-31-32(23)21(15-16-26)14-13-19-9-5-3-6-10-19/h3-12,21-22H,13-15,17-18,27H2,1-2H3,(H,28,33)/t21?,22-/m1/s1 | PDB
Reactome pathway
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| 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50371695
(CHEMBL403180)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CCc1ccccc1)CC#N |w:22.33| Show InChI InChI=1S/C25H31N7O2/c1-25(2,27)24(33)28-22(18-34-17-20-11-7-4-8-12-20)23-29-30-31-32(23)21(15-16-26)14-13-19-9-5-3-6-10-19/h3-12,21-22H,13-15,17-18,27H2,1-2H3,(H,28,33)/t21?,22-/m1/s1 | PDB
Reactome pathway
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| 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells |
Bioorg Med Chem Lett 18: 2067-72 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222151
(2-amino-N-((S)-2-(benzyloxy)-1-(1-((1-(methylsulfo...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CC1CN(c2ccccc12)S(C)(=O)=O |w:23.24| Show InChI InChI=1S/C24H31N7O4S/c1-24(2,25)23(32)26-20(16-35-15-17-9-5-4-6-10-17)22-27-28-29-30(22)13-18-14-31(36(3,33)34)21-12-8-7-11-19(18)21/h4-12,18,20H,13-16,25H2,1-3H3,(H,26,32)/t18?,20-/m1/s1 | PDB
Reactome pathway
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| 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222161
((S)-2-amino-N-(2-(benzyloxy)-1-(1-(3-(2-(N-methylm...)Show SMILES CN(c1ccccc1CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N)S(C)(=O)=O Show InChI InChI=1S/C25H35N7O4S/c1-25(2,26)24(33)27-21(18-36-17-19-11-6-5-7-12-19)23-28-29-30-32(23)16-10-14-20-13-8-9-15-22(20)31(3)37(4,34)35/h5-9,11-13,15,21H,10,14,16-18,26H2,1-4H3,(H,27,33)/t21-/m1/s1 | PDB
Reactome pathway
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UniChem
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Similars
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| 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222146
((S)-4-(5-(1-(2-amino-2-methylpropanamido)-2-(benzy...)Show SMILES CCCCNC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N Show InChI InChI=1S/C22H35N7O3/c1-4-5-13-24-19(30)12-9-14-29-20(26-27-28-29)18(25-21(31)22(2,3)23)16-32-15-17-10-7-6-8-11-17/h6-8,10-11,18H,4-5,9,12-16,23H2,1-3H3,(H,24,30)(H,25,31)/t18-/m1/s1 | PDB
Reactome pathway
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| 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222153
((S)-2-amino-N-(1-(1-benzyl-1H-tetrazol-5-yl)-2-(be...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1Cc1ccccc1 Show InChI InChI=1S/C21H26N6O2/c1-21(2,22)20(28)23-18(15-29-14-17-11-7-4-8-12-17)19-24-25-26-27(19)13-16-9-5-3-6-10-16/h3-12,18H,13-15,22H2,1-2H3,(H,23,28)/t18-/m1/s1 | PDB
Reactome pathway
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PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222165
(2-amino-N-{(S)-2-benzyloxy-1-[1-(2-butylcarbamoyl-...)Show SMILES CCCCNC(=O)CCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N Show InChI InChI=1S/C21H33N7O3/c1-4-5-12-23-18(29)11-13-28-19(25-26-27-28)17(24-20(30)21(2,3)22)15-31-14-16-9-7-6-8-10-16/h6-10,17H,4-5,11-15,22H2,1-3H3,(H,23,29)(H,24,30)/t17-/m1/s1 | PDB
Reactome pathway
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| 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50222143
((S)-N-(1-(1-(2-(methylsulfonamido)phenethyl)-1H-te...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1ccccc1NS(C)(=O)=O Show InChI InChI=1S/C23H31N7O4S/c1-23(2,24)22(31)25-20(16-34-15-17-9-5-4-6-10-17)21-26-28-29-30(21)14-13-18-11-7-8-12-19(18)27-35(3,32)33/h4-12,20,27H,13-16,24H2,1-3H3,(H,25,31)/t20-/m1/s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
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UniChem
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PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr |
Bioorg Med Chem Lett 17: 5928-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50264524
((R)-2-(3-Chloro-phenoxy)-N-(2-methyl-benzyl)-N-(R)...)Show SMILES C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)Cc1ccccc1C |r| Show InChI InChI=1S/C22H27ClN2O2/c1-16-7-3-4-8-18(16)14-25(15-20-10-6-12-24-20)22(26)17(2)27-21-11-5-9-19(23)13-21/h3-5,7-9,11,13,17,20,24H,6,10,12,14-15H2,1-2H3/t17-,20-/m1/s1 | PDB
Reactome pathway
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PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Binding affinity to GHSR (unknown origin) |
Bioorg Med Chem Lett 18: 5083-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9 |
More data for this
Ligand-Target Pair | |
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