Found 829 hits with Last Name = 'fernando' and Initial = 'd' 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)) | BDBM50440252
(CHEMBL2426686)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1 |r| Show InChI InChI=1S/C26H30N6O2/c1-34-22-5-3-20(27-16-22)15-25(33)30-12-8-26(9-13-30)17-31(18-26)24-7-2-19-14-21(4-6-23(19)24)32-28-10-11-29-32/h3-6,10-11,14,16,24H,2,7-9,12-13,15,17-18H2,1H3/t24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 5410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440255
(CHEMBL2426683)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3nccs3)CC2)nc1 |r| Show InChI InChI=1S/C27H30N4O2S/c1-33-22-5-4-21(29-16-22)15-25(32)30-11-8-27(9-12-30)17-31(18-27)24-7-3-19-14-20(2-6-23(19)24)26-28-10-13-34-26/h2,4-6,10,13-14,16,24H,3,7-9,11-12,15,17-18H2,1H3/t24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 5410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061718
(CHEMBL3394200)Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C#N |r| Show InChI InChI=1S/C31H33N5O3/c1-21-13-27(34-20-33-21)23-3-6-26-22(14-23)4-7-28(26)36-18-31(19-36)9-11-35(12-10-31)30(37)17-39-29-8-5-25(38-2)15-24(29)16-32/h3,5-6,8,13-15,20,28H,4,7,9-12,17-19H2,1-2H3/t28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Ketohexokinase
(Homo sapiens (Human)) | BDBM319585
(US10174007, Example 4 | US10787438, Example 4 | US...)Show SMILES C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9-,10-,11+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Mixed noncompetitive inhibition of recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using fructose as substrate ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00944
BindingDB Entry DOI: 10.7270/Q2QC074M |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019921
(CHEMBL3287213)Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4ncccn4)CC3)nc2s1 |r| Show InChI InChI=1S/C28H30N6OS/c1-19-15-33-16-22(31-27(33)36-19)14-25(35)32-11-7-28(8-12-32)17-34(18-28)24-6-4-20-13-21(3-5-23(20)24)26-29-9-2-10-30-26/h2-3,5,9-10,13,15-16,24H,4,6-8,11-12,14,17-18H2,1H3/t24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386955
(CHEMBL2048820)Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5Cl)-n5nccn5)C4)CC3)nc2s1 Show InChI InChI=1S/C24H26ClN7OS/c1-17-12-31-14-19(28-23(31)34-17)10-22(33)30-8-4-24(5-9-30)15-29(16-24)13-18-2-3-20(11-21(18)25)32-26-6-7-27-32/h2-3,6-7,11-12,14H,4-5,8-10,13,15-16H2,1H3 | PDB
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CHEMBL
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PC cid
PC sid
UniChem
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| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 5410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440261
(CHEMBL2426677)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r| Show InChI InChI=1S/C29H32N4O2/c1-35-24-7-3-21(4-8-24)17-27(34)32-15-11-29(12-16-32)19-33(20-29)26-10-6-22-18-23(5-9-25(22)26)28-30-13-2-14-31-28/h2-5,7-9,13-14,18,26H,6,10-12,15-17,19-20H2,1H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440261
(CHEMBL2426677)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r| Show InChI InChI=1S/C29H32N4O2/c1-35-24-7-3-21(4-8-24)17-27(34)32-15-11-29(12-16-32)19-33(20-29)26-10-6-22-18-23(5-9-25(22)26)28-30-13-2-14-31-28/h2-5,7-9,13-14,18,26H,6,10-12,15-17,19-20H2,1H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 5410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061725
(CHEMBL3394195)Show SMILES Cc1cc(ncn1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1ccc(cn1)C1CC1 |r| Show InChI InChI=1S/C31H35N5O/c1-21-14-28(34-20-33-21)24-5-8-27-23(15-24)6-9-29(27)36-18-31(19-36)10-12-35(13-11-31)30(37)16-26-7-4-25(17-32-26)22-2-3-22/h4-5,7-8,14-15,17,20,22,29H,2-3,6,9-13,16,18-19H2,1H3/t29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019926
(CHEMBL3287218)Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4cc(C)ncn4)CC3)nc2s1 |r| Show InChI InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1 | PDB
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| PDB
Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b... |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019926
(CHEMBL3287218)Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4cc(C)ncn4)CC3)nc2s1 |r| Show InChI InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1 | PDB
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PDB
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| PDB
Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019921
(CHEMBL3287213)Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4ncccn4)CC3)nc2s1 |r| Show InChI InChI=1S/C28H30N6OS/c1-19-15-33-16-22(31-27(33)36-19)14-25(35)32-11-7-28(8-12-32)17-34(18-28)24-6-4-20-13-21(3-5-23(20)24)26-29-9-2-10-30-26/h2-3,5,9-10,13,15-16,24H,4,6-8,11-12,14,17-18H2,1H3/t24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b... |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440261
(CHEMBL2426677)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r| Show InChI InChI=1S/C29H32N4O2/c1-35-24-7-3-21(4-8-24)17-27(34)32-15-11-29(12-16-32)19-33(20-29)26-10-6-22-18-23(5-9-25(22)26)28-30-13-2-14-31-28/h2-5,7-9,13-14,18,26H,6,10-12,15-17,19-20H2,1H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440254
(CHEMBL2426684)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)cc1 |r| Show InChI InChI=1S/C27H31N5O2/c1-34-23-6-2-20(3-7-23)16-26(33)30-14-10-27(11-15-30)18-31(19-27)25-9-4-21-17-22(5-8-24(21)25)32-28-12-13-29-32/h2-3,5-8,12-13,17,25H,4,9-11,14-16,18-19H2,1H3/t25-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 5410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440251
(CHEMBL2426687)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncc(C)cn3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-20-15-31-28(32-16-20)22-3-7-25-21(13-22)4-8-26(25)34-18-29(19-34)9-11-33(12-10-29)27(35)14-23-5-6-24(36-2)17-30-23/h3,5-7,13,15-17,26H,4,8-12,14,18-19H2,1-2H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 5410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440253
(CHEMBL2426685)Show SMILES CCc1cnc(nc1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1ccc(OC)cn1 |r| Show InChI InChI=1S/C30H35N5O2/c1-3-21-16-32-29(33-17-21)23-4-8-26-22(14-23)5-9-27(26)35-19-30(20-35)10-12-34(13-11-30)28(36)15-24-6-7-25(37-2)18-31-24/h4,6-8,14,16-18,27H,3,5,9-13,15,19-20H2,1-2H3/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 5410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440251
(CHEMBL2426687)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncc(C)cn3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-20-15-31-28(32-16-20)22-3-7-25-21(13-22)4-8-26(25)34-18-29(19-34)9-11-33(12-10-29)27(35)14-23-5-6-24(36-2)17-30-23/h3,5-7,13,15-17,26H,4,8-12,14,18-19H2,1-2H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061717
(CHEMBL3394201)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C(N)=O |r| Show InChI InChI=1S/C31H35N5O3/c1-20-13-27(34-19-33-20)23-4-7-25-21(14-23)5-8-28(25)36-17-31(18-36)9-11-35(12-10-31)29(37)15-22-3-6-24(39-2)16-26(22)30(32)38/h3-4,6-7,13-14,16,19,28H,5,8-12,15,17-18H2,1-2H3,(H2,32,38)/t28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019922
(CHEMBL3287214)Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4ccc(nc4)C(N)=O)CC3)nc2s1 |r| Show InChI InChI=1S/C30H32N6O2S/c1-19-15-35-16-23(33-29(35)39-19)13-27(37)34-10-8-30(9-11-34)17-36(18-30)26-7-4-21-12-20(2-5-24(21)26)22-3-6-25(28(31)38)32-14-22/h2-3,5-6,12,14-16,26H,4,7-11,13,17-18H2,1H3,(H2,31,38)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440249
(CHEMBL2426689)Show SMILES Cc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1 |r| Show InChI InChI=1S/C26H30N6O/c1-19-2-4-21(27-16-19)15-25(33)30-12-8-26(9-13-30)17-31(18-26)24-7-3-20-14-22(5-6-23(20)24)32-28-10-11-29-32/h2,4-6,10-11,14,16,24H,3,7-9,12-13,15,17-18H2,1H3/t24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 5410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019925
(CHEMBL3287217)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-20-13-26(32-19-31-20)22-3-7-25-21(14-22)4-8-27(25)34-17-29(18-34)9-11-33(12-10-29)28(35)15-23-5-6-24(36-2)16-30-23/h3,5-7,13-14,16,19,27H,4,8-12,15,17-18H2,1-2H3/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061720
(CHEMBL3394199)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C#N |r| Show InChI InChI=1S/C31H33N5O2/c1-21-13-28(34-20-33-21)24-4-7-27-23(14-24)5-8-29(27)36-18-31(19-36)9-11-35(12-10-31)30(37)16-22-3-6-26(38-2)15-25(22)17-32/h3-4,6-7,13-15,20,29H,5,8-12,16,18-19H2,1-2H3/t29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019925
(CHEMBL3287217)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-20-13-26(32-19-31-20)22-3-7-25-21(14-22)4-8-27(25)34-17-29(18-34)9-11-33(12-10-29)28(35)15-23-5-6-24(36-2)16-30-23/h3,5-7,13-14,16,19,27H,4,8-12,15,17-18H2,1-2H3/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440250
(CHEMBL2426688)Show SMILES CCc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O/c1-2-21-4-7-24(32-18-21)17-27(35)33-14-10-29(11-15-33)19-34(20-29)26-9-6-22-16-23(5-8-25(22)26)28-30-12-3-13-31-28/h3-5,7-8,12-13,16,18,26H,2,6,9-11,14-15,17,19-20H2,1H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 5410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019924
(CHEMBL3287216)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3nccc(C)n3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-20-9-12-30-28(32-20)22-3-7-25-21(15-22)4-8-26(25)34-18-29(19-34)10-13-33(14-11-29)27(35)16-23-5-6-24(36-2)17-31-23/h3,5-7,9,12,15,17,26H,4,8,10-11,13-14,16,18-19H2,1-2H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
Patents
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| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440247
(CHEMBL2426666)Show SMILES CCc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1 |r| Show InChI InChI=1S/C27H32N6O/c1-2-20-3-5-22(28-17-20)16-26(34)31-13-9-27(10-14-31)18-32(19-27)25-8-4-21-15-23(6-7-24(21)25)33-29-11-12-30-33/h3,5-7,11-12,15,17,25H,2,4,8-10,13-14,16,18-19H2,1H3/t25-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 5410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440261
(CHEMBL2426677)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r| Show InChI InChI=1S/C29H32N4O2/c1-35-24-7-3-21(4-8-24)17-27(34)32-15-11-29(12-16-32)19-33(20-29)26-10-6-22-18-23(5-9-25(22)26)28-30-13-2-14-31-28/h2-5,7-9,13-14,18,26H,6,10-12,15-17,19-20H2,1H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b... |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019925
(CHEMBL3287217)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-20-13-26(32-19-31-20)22-3-7-25-21(14-22)4-8-27(25)34-17-29(18-34)9-11-33(12-10-29)28(35)15-23-5-6-24(36-2)16-30-23/h3,5-7,13-14,16,19,27H,4,8-12,15,17-18H2,1-2H3/t27-/m1/s1 | PDB
Reactome pathway
KEGG
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PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b... |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061713
(CHEMBL3394205)Show SMILES CNC(=O)c1cc(OC)ccc1CC(=O)N1CCC2(CN(C2)[C@@H]2CCc3cc(ccc23)-c2cc(C)ncn2)CC1 |r| Show InChI InChI=1S/C32H37N5O3/c1-21-14-28(35-20-34-21)24-5-8-26-22(15-24)6-9-29(26)37-18-32(19-37)10-12-36(13-11-32)30(38)16-23-4-7-25(40-3)17-27(23)31(39)33-2/h4-5,7-8,14-15,17,20,29H,6,9-13,16,18-19H2,1-3H3,(H,33,39)/t29-/m1/s1 | PDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440259
(CHEMBL2426680)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r| Show InChI InChI=1S/C28H31N5O2/c1-35-23-6-5-22(31-17-23)16-26(34)32-13-9-28(10-14-32)18-33(19-28)25-8-4-20-15-21(3-7-24(20)25)27-29-11-2-12-30-27/h2-3,5-7,11-12,15,17,25H,4,8-10,13-14,16,18-19H2,1H3/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b... |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061712
(CHEMBL3394206)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(NC(C)=O)c1 |r| Show InChI InChI=1S/C32H37N5O3/c1-21-14-28(34-20-33-21)24-5-8-27-23(15-24)6-9-30(27)37-18-32(19-37)10-12-36(13-11-32)31(39)16-25-4-7-26(40-3)17-29(25)35-22(2)38/h4-5,7-8,14-15,17,20,30H,6,9-13,16,18-19H2,1-3H3,(H,35,38)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440248
(CHEMBL2426667)Show SMILES Cc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r| Show InChI InChI=1S/C28H31N5O/c1-20-3-6-23(31-17-20)16-26(34)32-13-9-28(10-14-32)18-33(19-28)25-8-5-21-15-22(4-7-24(21)25)27-29-11-2-12-30-27/h2-4,6-7,11-12,15,17,25H,5,8-10,13-14,16,18-19H2,1H3/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 5410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440259
(CHEMBL2426680)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r| Show InChI InChI=1S/C28H31N5O2/c1-35-23-6-5-22(31-17-23)16-26(34)32-13-9-28(10-14-32)18-33(19-28)25-8-4-20-15-21(3-7-24(20)25)27-29-11-2-12-30-27/h2-3,5-7,11-12,15,17,25H,4,8-10,13-14,16,18-19H2,1H3/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 23: 5410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440259
(CHEMBL2426680)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r| Show InChI InChI=1S/C28H31N5O2/c1-35-23-6-5-22(31-17-23)16-26(34)32-13-9-28(10-14-32)18-33(19-28)25-8-4-20-15-21(3-7-24(20)25)27-29-11-2-12-30-27/h2-3,5-7,11-12,15,17,25H,4,8-10,13-14,16,18-19H2,1H3/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50005094
(CHEMBL2424680)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H](C(C)C)c3ccc(cc3)-c3ncccn3)CC2)nc1 |r| Show InChI InChI=1S/C29H35N5O2/c1-21(2)27(22-5-7-23(8-6-22)28-30-13-4-14-31-28)34-19-29(20-34)11-15-33(16-12-29)26(35)17-24-9-10-25(36-3)18-32-24/h4-10,13-14,18,21,27H,11-12,15-17,19-20H2,1-3H3/t27-/m1/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc... |
Bioorg Med Chem Lett 23: 5410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061727
(CHEMBL3394193)Show SMILES Cc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O/c1-20-3-6-24(30-16-20)15-28(35)33-11-9-29(10-12-33)17-34(18-29)27-8-5-22-14-23(4-7-25(22)27)26-13-21(2)31-19-32-26/h3-4,6-7,13-14,16,19,27H,5,8-12,15,17-18H2,1-2H3/t27-/m1/s1 | PDB
Reactome pathway
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UniChem
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PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061724
(CHEMBL3394196)Show SMILES Cc1cc(ncn1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C29H31N7O/c1-19-13-24(32-18-31-19)21-4-6-22-20(14-21)5-7-26(22)36-16-29(17-36)8-11-35(12-9-29)27(37)15-25-23-3-2-10-30-28(23)34-33-25/h2-4,6,10,13-14,18,26H,5,7-9,11-12,15-17H2,1H3,(H,30,33,34)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| >50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019924
(CHEMBL3287216)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3nccc(C)n3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-20-9-12-30-28(32-20)22-3-7-25-21(15-22)4-8-26(25)34-18-29(19-34)10-13-33(14-11-29)27(35)16-23-5-6-24(36-2)17-31-23/h3,5-7,9,12,15,17,26H,4,8,10-11,13-14,16,18-19H2,1-2H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
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PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b... |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061721
(CHEMBL3394198)Show SMILES CCn1nc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c2cccnc12 |r| Show InChI InChI=1S/C31H35N7O/c1-3-38-30-25(5-4-12-32-30)27(35-38)17-29(39)36-13-10-31(11-14-36)18-37(19-31)28-9-7-22-16-23(6-8-24(22)28)26-15-21(2)33-20-34-26/h4-6,8,12,15-16,20,28H,3,7,9-11,13-14,17-19H2,1-2H3/t28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| Article
PubMed
| >50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061726
(CHEMBL3394194)Show SMILES CCc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)nc1 |r| Show InChI InChI=1S/C30H35N5O/c1-3-22-4-7-25(31-17-22)16-29(36)34-12-10-30(11-13-34)18-35(19-30)28-9-6-23-15-24(5-8-26(23)28)27-14-21(2)32-20-33-27/h4-5,7-8,14-15,17,20,28H,3,6,9-13,16,18-19H2,1-2H3/t28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50019923
(CHEMBL3287215)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ccncn3)CC2)nc1 |r| Show InChI InChI=1S/C28H31N5O2/c1-35-23-5-4-22(30-16-23)15-27(34)32-12-9-28(10-13-32)17-33(18-28)26-7-3-20-14-21(2-6-24(20)26)25-8-11-29-19-31-25/h2,4-6,8,11,14,16,19,26H,3,7,9-10,12-13,15,17-18H2,1H3/t26-/m1/s1 | PDB
Reactome pathway
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| Article
PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50440251
(CHEMBL2426687)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncc(C)cn3)CC2)nc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-20-15-31-28(32-16-20)22-3-7-25-21(13-22)4-8-26(25)34-18-29(19-34)9-11-33(12-10-29)27(35)14-23-5-6-24(36-2)17-30-23/h3,5-7,13,15-17,26H,4,8-12,14,18-19H2,1-2H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
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PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b... |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061715
(CHEMBL3394203)Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C(N)=O |r| Show InChI InChI=1S/C31H35N5O4/c1-20-13-26(34-19-33-20)22-3-6-24-21(14-22)4-7-27(24)36-17-31(18-36)9-11-35(12-10-31)29(37)16-40-28-8-5-23(39-2)15-25(28)30(32)38/h3,5-6,8,13-15,19,27H,4,7,9-12,16-18H2,1-2H3,(H2,32,38)/t27-/m1/s1 | PDB
Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| 127 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061714
(CHEMBL3394204)Show SMILES COc1ccc(CCC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C(N)=O |r| Show InChI InChI=1S/C32H37N5O3/c1-21-15-28(35-20-34-21)24-4-8-26-23(16-24)5-9-29(26)37-18-32(19-37)11-13-36(14-12-32)30(38)10-6-22-3-7-25(40-2)17-27(22)31(33)39/h3-4,7-8,15-17,20,29H,5-6,9-14,18-19H2,1-2H3,(H2,33,39)/t29-/m1/s1 | PDB
Reactome pathway
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PubMed
| 139 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50005095
(CHEMBL2426672)Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)C(C(C)C)c3ccc(cc3)-c3ncccn3)CC2)nc1 Show InChI InChI=1S/C29H35N5O2/c1-21(2)27(22-5-7-23(8-6-22)28-30-13-4-14-31-28)34-19-29(20-34)11-15-33(16-12-29)26(35)17-24-9-10-25(36-3)18-32-24/h4-10,13-14,18,21,27H,11-12,15-17,19-20H2,1-3H3 | PDB
UniProtKB/SwissProt
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PC sid
UniChem
Similars
| Article
PubMed
| 151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc... |
Bioorg Med Chem Lett 23: 5410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5 |
More data for this
Ligand-Target Pair | |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM50133601
(CHEMBL3633251)Show InChI InChI=1S/C14H16N2O4S/c1-19-9-3-4-10(12(7-9)20-2)11-8-13(18)15-14(21)16(11)5-6-17/h3-4,7-8,17H,5-6H2,1-2H3,(H,15,18,21) | PDB
MMDB
KEGG
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UniChem
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PubMed
| 151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ... |
J Med Chem 58: 8513-28 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061723
(CHEMBL3394197)Show SMILES Cc1cc(ncn1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1nn(C)c2ncccc12 |r| Show InChI InChI=1S/C30H33N7O/c1-20-14-25(33-19-32-20)22-5-7-23-21(15-22)6-8-27(23)37-17-30(18-37)9-12-36(13-10-30)28(38)16-26-24-4-3-11-31-29(24)35(2)34-26/h3-5,7,11,14-15,19,27H,6,8-10,12-13,16-18H2,1-2H3/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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PubMed
| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM50133602
(CHEMBL3633250)Show InChI InChI=1S/C14H17N3O3S/c1-19-9-3-4-10(12(7-9)20-2)11-8-13(18)16-14(21)17(11)6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18,21) | PDB
MMDB
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PC sid
UniChem
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| Article
PubMed
| 174 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ... |
J Med Chem 58: 8513-28 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00963
BindingDB Entry DOI: 10.7270/Q2SQ926X |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386942
(CHEMBL2048807)Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc5OC(C)(C)CCc5c4)C3)CC2)cc1 Show InChI InChI=1S/C28H36N2O4/c1-27(2)11-10-22-16-21(4-9-25(22)34-27)17-29-19-28(20-29)12-14-30(15-13-28)26(31)18-33-24-7-5-23(32-3)6-8-24/h4-9,16H,10-15,17-20H2,1-3H3 | PDB
Reactome pathway
KEGG
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UniChem
| Article
PubMed
| 214 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay |
ACS Med Chem Lett 5: 474-9 (2014)
Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50061716
(CHEMBL3394202)Show SMILES COc1cc(C(N)=O)c(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3nccc(C)n3)CC2)cn1 |r| Show InChI InChI=1S/C30H34N6O3/c1-19-7-10-32-29(34-19)21-3-5-23-20(13-21)4-6-25(23)36-17-30(18-36)8-11-35(12-9-30)27(37)14-22-16-33-26(39-2)15-24(22)28(31)38/h3,5,7,10,13,15-16,25H,4,6,8-9,11-12,14,17-18H2,1-2H3,(H2,31,38)/t25-/m1/s1 | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 263 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method |
ACS Med Chem Lett 6: 156-61 (2015)
Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10 |
More data for this
Ligand-Target Pair | |
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