Found 526 hits with Last Name = 'coffey' and Initial = 'sb' 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 |
|---|
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314613
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1 | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314616
((S)-N-(4-(cyclohexylmethoxy)-5-fluoro-2-methoxyben...)Show SMILES COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C20H29FN2O3/c1-25-18-11-19(26-13-14-6-3-2-4-7-14)16(21)10-15(18)12-23-20(24)17-8-5-9-22-17/h10-11,14,17,22H,2-9,12-13H2,1H3,(H,23,24)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314614
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r| Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314618
(CHEMBL1090397 | N-((4'-chloro-3-fluorobiphenyl-4-y...)Show InChI InChI=1S/C18H19ClFN3O/c19-16-5-3-13(4-6-16)14-1-2-15(17(20)11-14)12-22-18(24)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12H2,(H,22,24) | PDB
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| Article
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Homo sapiens (Human)) | BDBM50414549
(CHEMBL563480)Show SMILES CCN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C19H16Cl2N4O2S/c1-2-25-8-9-27-15-7-6-11(10-14(15)25)17(26)22-19-24-23-18(28-19)16-12(20)4-3-5-13(16)21/h3-7,10H,2,8-9H2,1H3,(H,22,24,26) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 4.40 | 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 [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay |
Bioorg Med Chem Lett 26: 2670-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314623
((S)-N-(4-cyclohexylbenzyl)pyrrolidine-2-carboxamid...)Show InChI InChI=1S/C18H26N2O/c21-18(17-7-4-12-19-17)20-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h8-11,15,17,19H,1-7,12-13H2,(H,20,21)/t17-/m0/s1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ |
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
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PC sid
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| Article
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| 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 | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50398061
(CHEMBL2181928)Show SMILES C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C18H19N3O3/c1-12-9-21(14(10-23-12)13-5-3-2-4-6-13)16-8-7-15-18(19-16)20-17(22)11-24-15/h2-8,12,14H,9-11H2,1H3,(H,19,20,22)/t12-,14+/m1/s1 | PDB
MMDB
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| 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 [3H]-aldosterone from human GST-tagged MR ligand binding domain after 4 hrs by liquid scintillation counting |
J Med Chem 61: 1086-1097 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01515
BindingDB Entry DOI: 10.7270/Q2V1277H |
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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| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314624
((S)-N-((3',5'-dichlorobiphenyl-4-yl)methyl)pyrroli...)Show SMILES Clc1cc(Cl)cc(c1)-c1ccc(CNC(=O)[C@@H]2CCCN2)cc1 |r| Show InChI InChI=1S/C18H18Cl2N2O/c19-15-8-14(9-16(20)10-15)13-5-3-12(4-6-13)11-22-18(23)17-2-1-7-21-17/h3-6,8-10,17,21H,1-2,7,11H2,(H,22,23)/t17-/m0/s1 | PDB
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PC sid
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| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50264278
(CHEMBL4064803)Show SMILES COc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C25H26N4OS/c1-30-22-11-10-19-9-5-12-26-23(19)24(22)29-14-6-13-28(15-16-29)17-21-18-31-25(27-21)20-7-3-2-4-8-20/h2-5,7-12,18H,6,13-17H2,1H3 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Homo sapiens (Human)) | BDBM50166587
(CHEMBL3799530)Show SMILES CCn1ncc2c(F)cc(cc12)C(=O)Nc1nnc(s1)C1(C)CCN(CC1)C(=O)C(C)(C)O Show InChI InChI=1S/C22H27FN6O3S/c1-5-29-16-11-13(10-15(23)14(16)12-24-29)17(30)25-20-27-26-18(33-20)22(4)6-8-28(9-7-22)19(31)21(2,3)32/h10-12,32H,5-9H2,1-4H3,(H,25,27,30) | PDB
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PC sid
UniChem
| 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 [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay |
Bioorg Med Chem Lett 26: 2670-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386949
(CHEMBL2048814)Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(cc4Cl)-n4nccn4)C3)CC2)cc1 Show InChI InChI=1S/C25H28ClN5O3/c1-33-21-4-6-22(7-5-21)34-16-24(32)30-12-8-25(9-13-30)17-29(18-25)15-19-2-3-20(14-23(19)26)31-27-10-11-28-31/h2-7,10-11,14H,8-9,12-13,15-18H2,1H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Homo sapiens (Human)) | BDBM50166584
(CHEMBL3797819)Show SMILES CCn1ncc2c(F)cc(cc12)C(=O)Nc1nnc(s1)C1(C)CCN(CC1)C(C)=O Show InChI InChI=1S/C20H23FN6O2S/c1-4-27-16-10-13(9-15(21)14(16)11-22-27)17(29)23-19-25-24-18(30-19)20(3)5-7-26(8-6-20)12(2)28/h9-11H,4-8H2,1-3H3,(H,23,25,29) | PDB
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PC sid
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| Article
PubMed
| 12 | 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 [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay |
Bioorg Med Chem Lett 26: 2670-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50314613
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1 | PDB
MMDB
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CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2A receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50314614
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r| Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2A receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386948
(CHEMBL2048813)Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(cc4)-n4nccn4)C3)CC2)cc1 Show InChI InChI=1S/C25H29N5O3/c1-32-22-6-8-23(9-7-22)33-17-24(31)29-14-10-25(11-15-29)18-28(19-25)16-20-2-4-21(5-3-20)30-26-12-13-27-30/h2-9,12-13H,10-11,14-19H2,1H3 | PDB
Reactome pathway
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PC sid
UniChem
Similars
| 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
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Homo sapiens (Human)) | BDBM50166580
(CHEMBL3797824)Show InChI InChI=1S/C15H14ClN5OS/c1-2-21-12-6-9(5-11(16)10(12)7-17-21)13(22)18-15-20-19-14(23-15)8-3-4-8/h5-8H,2-4H2,1H3,(H,18,20,22) | PDB
KEGG
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PC cid
PC sid
UniChem
Similars
| 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 [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay |
Bioorg Med Chem Lett 26: 2670-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386957
(CHEMBL2048822)Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5)-c5ncccn5)C4)CC3)nc2s1 Show InChI InChI=1S/C26H28N6OS/c1-19-14-32-16-22(29-25(32)34-19)13-23(33)31-11-7-26(8-12-31)17-30(18-26)15-20-3-5-21(6-4-20)24-27-9-2-10-28-24/h2-6,9-10,14,16H,7-8,11-13,15,17-18H2,1H3 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386952
(CHEMBL2048817)Show SMILES CC(C)COc1ccc(CN2CC3(C2)CCN(CC3)C(=O)Cc2n[nH]c3ccccc23)cc1 Show InChI InChI=1S/C27H34N4O2/c1-20(2)17-33-22-9-7-21(8-10-22)16-30-18-27(19-30)11-13-31(14-12-27)26(32)15-25-23-5-3-4-6-24(23)28-29-25/h3-10,20H,11-19H2,1-2H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Homo sapiens (Human)) | BDBM50166585
(CHEMBL3798872)Show SMILES CCn1ncc2c(F)cc(cc12)C(=O)Nc1nnc(s1)C1(C)CCN(CC1)C(=O)CO Show InChI InChI=1S/C20H23FN6O3S/c1-3-27-15-9-12(8-14(21)13(15)10-22-27)17(30)23-19-25-24-18(31-19)20(2)4-6-26(7-5-20)16(29)11-28/h8-10,28H,3-7,11H2,1-2H3,(H,23,25,30) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay |
Bioorg Med Chem Lett 26: 2670-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386953
(CHEMBL2048818)Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(OCC(C)C)cc4Cl)C3)CC2)cn1 Show InChI InChI=1S/C26H34ClN3O4/c1-19(2)15-33-21-5-4-20(23(27)12-21)14-29-17-26(18-29)8-10-30(11-9-26)25(31)16-34-22-6-7-24(32-3)28-13-22/h4-7,12-13,19H,8-11,14-18H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
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
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Homo sapiens (Human)) | BDBM50166586
(CHEMBL3799118)Show SMILES CCn1ncc2c(F)cc(cc12)C(=O)Nc1nnc(s1)C1(C)CCN(CC1)C(=O)C(C)O Show InChI InChI=1S/C21H25FN6O3S/c1-4-28-16-10-13(9-15(22)14(16)11-23-28)17(30)24-20-26-25-19(32-20)21(3)5-7-27(8-6-21)18(31)12(2)29/h9-12,29H,4-8H2,1-3H3,(H,24,26,30) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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
Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay |
Bioorg Med Chem Lett 26: 2670-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50567153
(CHEMBL4855707)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccc2cccnc12)C(=O)N(C)CC |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314626
((S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxami...)Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C19H22N2O2/c22-19(18-7-4-12-20-18)21-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,20H,4,7,12-14H2,(H,21,22)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386945
(CHEMBL2048810)Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(OCC(C)C)cc4Cl)C3)CC2)cc1 Show InChI InChI=1S/C27H35ClN2O4/c1-20(2)16-33-24-5-4-21(25(28)14-24)15-29-18-27(19-29)10-12-30(13-11-27)26(31)17-34-23-8-6-22(32-3)7-9-23/h4-9,14,20H,10-13,15-19H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314625
((S)-N-(4-(3-fluorophenoxy)benzyl)pyrrolidine-2-car...)Show SMILES Fc1cccc(Oc2ccc(CNC(=O)[C@@H]3CCCN3)cc2)c1 |r| Show InChI InChI=1S/C18H19FN2O2/c19-14-3-1-4-16(11-14)23-15-8-6-13(7-9-15)12-21-18(22)17-5-2-10-20-17/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386958
(CHEMBL2048823)Show SMILES Clc1ccc2nc(CC(=O)N3CCC4(CN(Cc5ccc(cc5)-n5nccn5)C4)CC3)cn2c1 Show InChI InChI=1S/C25H26ClN7O/c26-20-3-6-23-29-21(16-32(23)15-20)13-24(34)31-11-7-25(8-12-31)17-30(18-25)14-19-1-4-22(5-2-19)33-27-9-10-28-33/h1-6,9-10,15-16H,7-8,11-14,17-18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386951
(CHEMBL2048816)Show SMILES CC(C)COc1ccc(CN2CC3(C2)CCN(CC3)C(=O)Cc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C27H33N3O2S/c1-20(2)17-32-22-9-7-21(8-10-22)16-29-18-27(19-29)11-13-30(14-12-27)26(31)15-25-28-23-5-3-4-6-24(23)33-25/h3-10,20H,11-19H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314615
((S)-N-(3,5-difluoro-4-((1s,4s)-4-methylcyclohexylo...)Show SMILES C[C@H]1CC[C@H](CC1)Oc1c(F)cc(CNC(=O)[C@@H]2CCCN2)cc1F |r,wU:17.17,wD:4.7,1.0,(-10.94,-38.56,;-9.61,-39.33,;-9.61,-40.88,;-8.28,-41.66,;-6.95,-40.88,;-6.94,-39.34,;-8.27,-38.57,;-5.62,-41.65,;-4.28,-40.88,;-4.28,-39.34,;-5.61,-38.57,;-2.95,-38.57,;-1.62,-39.33,;-.29,-38.56,;1.05,-39.32,;2.38,-38.55,;2.38,-37.01,;3.72,-39.31,;3.68,-40.85,;5.13,-41.37,;6.07,-40.15,;5.2,-38.88,;-1.61,-40.88,;-2.95,-41.66,;-2.95,-43.2,)| Show InChI InChI=1S/C19H26F2N2O2/c1-12-4-6-14(7-5-12)25-18-15(20)9-13(10-16(18)21)11-23-19(24)17-3-2-8-22-17/h9-10,12,14,17,22H,2-8,11H2,1H3,(H,23,24)/t12-,14+,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386959
(CHEMBL2048824)Show SMILES Clc1ccc2nc(CC(=O)N3CCC4(CN(Cc5ccc(cc5)-c5ncccn5)C4)CC3)cn2c1 Show InChI InChI=1S/C27H27ClN6O/c28-22-6-7-24-31-23(17-34(24)16-22)14-25(35)33-12-8-27(9-13-33)18-32(19-27)15-20-2-4-21(5-3-20)26-29-10-1-11-30-26/h1-7,10-11,16-17H,8-9,12-15,18-19H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Homo sapiens (Human)) | BDBM50166581
(CHEMBL3797387)Show InChI InChI=1S/C15H14FN5OS/c1-2-21-12-6-9(5-11(16)10(12)7-17-21)13(22)18-15-20-19-14(23-15)8-3-4-8/h5-8H,2-4H2,1H3,(H,18,20,22) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 38 | 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 [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay |
Bioorg Med Chem Lett 26: 2670-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50567152
(CHEMBL4877999)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccc2scnc12)C(=O)N(C)CC |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314617
((2S,6R)-4-((3,5-dimethylisoxazol-4-yl)methoxy)-2,6...)Show SMILES C[C@H]1CNC[C@@H](C)N1C(=O)OCc1c(F)cc(OCc2c(C)noc2C)cc1F |r| Show InChI InChI=1S/C20H25F2N3O4/c1-11-7-23-8-12(2)25(11)20(26)28-10-17-18(21)5-15(6-19(17)22)27-9-16-13(3)24-29-14(16)4/h5-6,11-12,23H,7-10H2,1-4H3/t11-,12+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50264279
(CHEMBL4072602)Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r| Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50567151
(CHEMBL4848754)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)N(C)CC |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386946
(CHEMBL2048811)Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(cc4)-c4nnc(C)o4)C3)CC2)cc1 Show InChI InChI=1S/C26H30N4O4/c1-19-27-28-25(34-19)21-5-3-20(4-6-21)15-29-17-26(18-29)11-13-30(14-12-26)24(31)16-33-23-9-7-22(32-2)8-10-23/h3-10H,11-18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Homo sapiens (Human)) | BDBM50166583
(CHEMBL3797483)Show SMILES CCn1ncc2c(F)cc(cc12)C(=O)Nc1nnc(s1)C1(C)CCN(C1)C(C)=O Show InChI InChI=1S/C19H21FN6O2S/c1-4-26-15-8-12(7-14(20)13(15)9-21-26)16(28)22-18-24-23-17(29-18)19(3)5-6-25(10-19)11(2)27/h7-9H,4-6,10H2,1-3H3,(H,22,24,28) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 53 | 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 [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay |
Bioorg Med Chem Lett 26: 2670-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50567148
(CHEMBL4875191)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)N1CCC[C@H]1C |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Homo sapiens (Human)) | BDBM50166582
(CHEMBL3798781)Show SMILES CCn1ncc2c(F)cc(cc12)C(=O)Nc1nnc(s1)C1(C)CN(C1)C(C)=O Show InChI InChI=1S/C18H19FN6O2S/c1-4-25-14-6-11(5-13(19)12(14)7-20-25)15(27)21-17-23-22-16(28-17)18(3)8-24(9-18)10(2)26/h5-7H,4,8-9H2,1-3H3,(H,21,23,27) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 65 | 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 [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay |
Bioorg Med Chem Lett 26: 2670-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386954
(CHEMBL2048819)Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5)-n5nccn5)C4)CC3)nc2s1 Show InChI InChI=1S/C24H27N7OS/c1-18-13-30-15-20(27-23(30)33-18)12-22(32)29-10-6-24(7-11-29)16-28(17-24)14-19-2-4-21(5-3-19)31-25-8-9-26-31/h2-5,8-9,13,15H,6-7,10-12,14,16-17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Homo sapiens (Human)) | BDBM50166574
(CHEMBL3798598)Show InChI InChI=1S/C16H18N4O2S/c1-2-20-7-8-22-13-6-5-11(9-12(13)20)14(21)17-16-19-18-15(23-16)10-3-4-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,19,21) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 77 | 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 [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay |
Bioorg Med Chem Lett 26: 2670-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314619
((2S,6R)-benzyl 2,6-dimethylpiperazine-1-carboxylat...)Show InChI InChI=1S/C14H20N2O2/c1-11-8-15-9-12(2)16(11)14(17)18-10-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3/t11-,12+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386950
(CHEMBL2048815)Show SMILES CCCOc1ccc(CN2CC3(C2)CCN(CC3)C(=O)Cc2ccc(OC)cc2)cn1 Show InChI InChI=1S/C25H33N3O3/c1-3-14-31-23-9-6-21(16-26-23)17-27-18-25(19-27)10-12-28(13-11-25)24(29)15-20-4-7-22(30-2)8-5-20/h4-9,16H,3,10-15,17-19H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 114 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50567143
(CHEMBL4850844)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)[C@@H]1C[C@]2([H])CC[C@@]1([H])C2 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386947
(CHEMBL2048812)Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(cc4)-n4cccn4)C3)CC2)cc1 Show InChI InChI=1S/C26H30N4O3/c1-32-23-7-9-24(10-8-23)33-18-25(31)29-15-11-26(12-16-29)19-28(20-26)17-21-3-5-22(6-4-21)30-14-2-13-27-30/h2-10,13-14H,11-12,15-20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 152 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Mus musculus) | BDBM50567151
(CHEMBL4848754)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)N(C)CC |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to mouse CXCR7 |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50567146
(CHEMBL4867524)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1nccn2ccnc12)C(=O)N1CCCC1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F |
More data for this
Ligand-Target Pair | |
Atypical chemokine receptor 3
(Homo sapiens (Human)) | BDBM50567154
(CHEMBL4850025)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)N[C@H]1CCN(C1)c1ncccc1C#N)C(=O)N(C)CC |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 198 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128320
BindingDB Entry DOI: 10.7270/Q2Q2441F |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50386956
(CHEMBL2048821)Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5)-n5cccn5)C4)CC3)nc2s1 Show InChI InChI=1S/C25H28N6OS/c1-19-14-30-16-21(27-24(30)33-19)13-23(32)29-11-7-25(8-12-29)17-28(18-25)15-20-3-5-22(6-4-20)31-10-2-9-26-31/h2-6,9-10,14,16H,7-8,11-13,15,17-18H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 206 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA |
Bioorg Med Chem Lett 22: 4281-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D |
More data for this
Ligand-Target Pair | |
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