Found 105 hits with Last Name = 'mathieu' and Initial = 'p' 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 |
|---|
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359261
(CHEMBL1923617)Show SMILES CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C30H41ClN4O4/c1-5-20(2)27-30(38)35(4)21(3)28(36)34-25(19-22-12-14-24(31)15-13-22)29(37)33-16-8-10-23-9-6-7-11-26(23)39-18-17-32-27/h6-7,9,11-15,20-21,25,27,32H,5,8,10,16-19H2,1-4H3,(H,33,37)(H,34,36)/t20-,21+,25+,27-/m0/s1 | PDB
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359239
(CHEMBL1923629)Show SMILES C[C@@H]1CN[C@@H](C2CCCCC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C33H45FN4O4/c1-22-21-36-30(26-11-5-4-6-12-26)33(41)38(3)23(2)31(39)37-28(20-24-15-17-27(34)18-16-24)32(40)35-19-9-13-25-10-7-8-14-29(25)42-22/h7-8,10,14-18,22-23,26,28,30,36H,4-6,9,11-13,19-21H2,1-3H3,(H,35,40)(H,37,39)/t22-,23-,28-,30+/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359250
(CHEMBL1923640)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NC[C@H]2CCc3cccc(CCCNC(=O)[C@@H](Cc4ccc(F)cc4)NC1=O)c3O2)C1CC1 |r| Show InChI InChI=1S/C31H39FN4O4/c1-19-29(37)35-26(17-20-8-13-24(32)14-9-20)30(38)33-16-4-7-22-5-3-6-23-12-15-25(40-28(22)23)18-34-27(21-10-11-21)31(39)36(19)2/h3,5-6,8-9,13-14,19,21,25-27,34H,4,7,10-12,15-18H2,1-2H3,(H,33,38)(H,35,37)/t19-,25-,26-,27+/m1/s1 | PDB
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| CHEMBL
PC cid
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 |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359252
(CHEMBL1923642)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2cc(F)ccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H36F2N4O4/c1-18-27(36)34-24(16-19-5-10-22(30)11-6-19)28(37)33-13-3-4-20-9-12-23(31)17-25(20)39-15-14-32-26(21-7-8-21)29(38)35(18)2/h5-6,9-12,17-18,21,24,26,32H,3-4,7-8,13-16H2,1-2H3,(H,33,37)(H,34,36)/t18-,24-,26+/m1/s1 | PDB
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| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359259
(CHEMBL1923610)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H38N4O4/c1-20-27(34)32-24(19-21-9-4-3-5-10-21)28(35)31-16-8-12-22-11-6-7-13-25(22)37-18-17-30-26(23-14-15-23)29(36)33(20)2/h3-7,9-11,13,20,23-24,26,30H,8,12,14-19H2,1-2H3,(H,31,35)(H,32,34)/t20-,24-,26+/m1/s1 | PDB
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| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359238
(CHEMBL1923628)Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)c(C)c2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C31H41FN4O4/c1-19-16-22(11-14-25(19)32)17-26-30(38)33-15-7-9-23-8-5-6-10-27(23)40-20(2)18-34-28(24-12-13-24)31(39)36(4)21(3)29(37)35-26/h5-6,8,10-11,14,16,20-21,24,26,28,34H,7,9,12-13,15,17-18H2,1-4H3,(H,33,38)(H,35,37)/t20-,21-,26-,28+/m1/s1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359238
(CHEMBL1923628)Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)c(C)c2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C31H41FN4O4/c1-19-16-22(11-14-25(19)32)17-26-30(38)33-15-7-9-23-8-5-6-10-27(23)40-20(2)18-34-28(24-12-13-24)31(39)36(4)21(3)29(37)35-26/h5-6,8,10-11,14,16,20-21,24,26,28,34H,7,9,12-13,15,17-18H2,1-4H3,(H,33,38)(H,35,37)/t20-,21-,26-,28+/m1/s1 | PDB
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UniChem
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| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359237
(CHEMBL1923627)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(C)cc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C30H40N4O4/c1-20-10-12-22(13-11-20)19-25-29(36)32-16-6-8-23-7-4-5-9-26(23)38-18-17-31-27(24-14-15-24)30(37)34(3)21(2)28(35)33-25/h4-5,7,9-13,21,24-25,27,31H,6,8,14-19H2,1-3H3,(H,32,36)(H,33,35)/t21-,25-,27+/m1/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359233
(CHEMBL1923623)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2F)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H37FN4O4/c1-19-27(35)33-24(18-22-9-3-5-11-23(22)30)28(36)32-15-7-10-20-8-4-6-12-25(20)38-17-16-31-26(21-13-14-21)29(37)34(19)2/h3-6,8-9,11-12,19,21,24,26,31H,7,10,13-18H2,1-2H3,(H,32,36)(H,33,35)/t19-,24-,26+/m1/s1 | PDB
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PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359282
(CHEMBL1923609)Show SMILES CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C30H42N4O4/c1-5-21(2)27-30(37)34(4)22(3)28(35)33-25(20-23-12-7-6-8-13-23)29(36)32-17-11-15-24-14-9-10-16-26(24)38-19-18-31-27/h6-10,12-14,16,21-22,25,27,31H,5,11,15,17-20H2,1-4H3,(H,32,36)(H,33,35)/t21-,22+,25+,27-/m0/s1 | PDB
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359236
(CHEMBL1923626)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(cc2)C(F)(F)F)NC1=O)C1CC1 |r| Show InChI InChI=1S/C30H37F3N4O4/c1-19-27(38)36-24(18-20-9-13-23(14-10-20)30(31,32)33)28(39)35-15-5-7-21-6-3-4-8-25(21)41-17-16-34-26(22-11-12-22)29(40)37(19)2/h3-4,6,8-10,13-14,19,22,24,26,34H,5,7,11-12,15-18H2,1-2H3,(H,35,39)(H,36,38)/t19-,24-,26+/m1/s1 | PDB
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| Article
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359235
(CHEMBL1923625)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H37FN4O4/c1-19-27(35)33-24(18-20-9-13-23(30)14-10-20)28(36)32-15-5-7-21-6-3-4-8-25(21)38-17-16-31-26(22-11-12-22)29(37)34(19)2/h3-4,6,8-10,13-14,19,22,24,26,31H,5,7,11-12,15-18H2,1-2H3,(H,32,36)(H,33,35)/t19-,24-,26+/m1/s1 | PDB
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| Article
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| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359247
(CHEMBL1923637)Show SMILES CC1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](N1)C1CC1 |r| Show InChI InChI=1S/C30H39FN4O4/c1-19-18-39-26-9-5-4-7-22(26)8-6-16-32-29(37)25(17-21-10-14-24(31)15-11-21)34-28(36)20(2)35(3)30(38)27(33-19)23-12-13-23/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19?,20-,25-,27+/m1/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359249
(CHEMBL1923639)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCC(C)(C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C31H41FN4O4/c1-20-28(37)35-25(18-21-11-15-24(32)16-12-21)29(38)33-17-7-9-22-8-5-6-10-26(22)40-31(2,3)19-34-27(23-13-14-23)30(39)36(20)4/h5-6,8,10-12,15-16,20,23,25,27,34H,7,9,13-14,17-19H2,1-4H3,(H,33,38)(H,35,37)/t20-,25-,27+/m1/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359262
(CHEMBL1923621)Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C30H39ClN4O4/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20-,25-,27+/m1/s1 | PDB
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PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359256
(CHEMBL1923502 | ULIMORELIN)Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C30H39FN4O4/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20-,25-,27+/m1/s1 | PDB
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PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359260
(CHEMBL1923611)Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C29H40N4O4/c1-4-11-24-29(36)33(3)21(2)27(34)32-25(20-22-12-6-5-7-13-22)28(35)31-17-10-15-23-14-8-9-16-26(23)37-19-18-30-24/h5-9,12-14,16,21,24-25,30H,4,10-11,15,17-20H2,1-3H3,(H,31,35)(H,32,34)/t21-,24+,25-/m1/s1 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359251
(CHEMBL1923641)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NC[C@@H]2CCc3cccc(CCCNC(=O)[C@@H](Cc4ccc(F)cc4)NC1=O)c3O2)C1CC1 |r| Show InChI InChI=1S/C31H39FN4O4/c1-19-29(37)35-26(17-20-8-13-24(32)14-9-20)30(38)33-16-4-7-22-5-3-6-23-12-15-25(40-28(22)23)18-34-27(21-10-11-21)31(39)36(19)2/h3,5-6,8-9,13-14,19,21,25-27,34H,4,7,10-12,15-18H2,1-2H3,(H,33,38)(H,35,37)/t19-,25+,26-,27+/m1/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359234
(CHEMBL1923624)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccc(F)c2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H37FN4O4/c1-19-27(35)33-24(18-20-7-5-10-23(30)17-20)28(36)32-14-6-9-21-8-3-4-11-25(21)38-16-15-31-26(22-12-13-22)29(37)34(19)2/h3-5,7-8,10-11,17,19,22,24,26,31H,6,9,12-16,18H2,1-2H3,(H,32,36)(H,33,35)/t19-,24-,26+/m1/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359281
(CHEMBL1923608)Show SMILES CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C30H42N4O4/c1-21(2)19-26-30(37)34(4)22(3)28(35)33-25(20-23-11-6-5-7-12-23)29(36)32-16-10-14-24-13-8-9-15-27(24)38-18-17-31-26/h5-9,11-13,15,21-22,25-26,31H,10,14,16-20H2,1-4H3,(H,32,36)(H,33,35)/t22-,25-,26+/m1/s1 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359269
(CHEMBL1923620)Show SMILES CC[C@H](C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C31H43FN4O4/c1-6-20(2)28-31(39)36(5)22(4)29(37)35-26(18-23-13-15-25(32)16-14-23)30(38)33-17-9-11-24-10-7-8-12-27(24)40-21(3)19-34-28/h7-8,10,12-16,20-22,26,28,34H,6,9,11,17-19H2,1-5H3,(H,33,38)(H,35,37)/t20-,21+,22+,26+,28-/m0/s1 | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359267
(CHEMBL1923618)Show SMILES CCC[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C30H41FN4O4/c1-5-9-25-30(38)35(4)21(3)28(36)34-26(18-22-13-15-24(31)16-14-22)29(37)32-17-8-11-23-10-6-7-12-27(23)39-20(2)19-33-25/h6-7,10,12-16,20-21,25-26,33H,5,8-9,11,17-19H2,1-4H3,(H,32,37)(H,34,36)/t20-,21-,25+,26-/m1/s1 | PDB
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359232
(CHEMBL1923622)Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C30H40N4O4/c1-20-19-32-27(24-15-16-24)30(37)34(3)21(2)28(35)33-25(18-22-10-5-4-6-11-22)29(36)31-17-9-13-23-12-7-8-14-26(23)38-20/h4-8,10-12,14,20-21,24-25,27,32H,9,13,15-19H2,1-3H3,(H,31,36)(H,33,35)/t20-,21-,25-,27+/m1/s1 | PDB
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359265
(CHEMBL1923614)Show SMILES CC[C@H](C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC)NC1=O |r| Show InChI InChI=1S/C31H44N4O4/c1-5-21(3)28-31(38)34-25(6-2)30(37)35-26(19-23-13-8-7-9-14-23)29(36)32-18-12-16-24-15-10-11-17-27(24)39-22(4)20-33-28/h7-11,13-15,17,21-22,25-26,28,33H,5-6,12,16,18-20H2,1-4H3,(H,32,36)(H,34,38)(H,35,37)/t21-,22+,25+,26+,28-/m0/s1 | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359283
(CHEMBL1923616)Show SMILES CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C31H44N4O4/c1-5-22(2)28-31(38)35(4)23(3)29(36)34-26(18-17-24-12-7-6-8-13-24)30(37)33-19-11-15-25-14-9-10-16-27(25)39-21-20-32-28/h6-10,12-14,16,22-23,26,28,32H,5,11,15,17-21H2,1-4H3,(H,33,37)(H,34,36)/t22-,23+,26+,28-/m0/s1 | PDB
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359248
(CHEMBL1923638)Show SMILES C[C@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C30H39FN4O4/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20+,25+,27-/m0/s1 | PDB
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359253
(CHEMBL1923643)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccc(F)cc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H36F2N4O4/c1-18-27(36)34-24(16-19-5-9-22(30)10-6-19)28(37)33-13-3-4-21-17-23(31)11-12-25(21)39-15-14-32-26(20-7-8-20)29(38)35(18)2/h5-6,9-12,17-18,20,24,26,32H,3-4,7-8,13-16H2,1-2H3,(H,33,37)(H,34,36)/t18-,24-,26+/m1/s1 | PDB
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50307347
(CHEMBL1783614)Show SMILES COc1cc2nc(\C=C\c3cccnc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C24H30N6O4S/c1-33-21-14-19-20(15-22(21)34-2)28-23(6-5-18-4-3-10-26-16-18)29-24(19)30-12-8-17(9-13-30)7-11-27-35(25,31)32/h3-6,10,14-17,27H,7-9,11-13H2,1-2H3,(H2,25,31,32)/b6-5+ | PDB
Reactome pathway
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359254
(CHEMBL1923644)Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2O1 |r| Show InChI InChI=1S/C30H38F2N4O4/c1-18-17-34-27(22-8-9-22)30(39)36(3)19(2)28(37)35-25(15-20-6-11-23(31)12-7-20)29(38)33-14-4-5-21-10-13-24(32)16-26(21)40-18/h6-7,10-13,16,18-19,22,25,27,34H,4-5,8-9,14-15,17H2,1-3H3,(H,33,38)(H,35,37)/t18-,19-,25-,27+/m1/s1 | PDB
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| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359257
(CHEMBL1923504)Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O |r| Show InChI InChI=1S/C28H38N4O4/c1-3-10-23-28(35)32(2)20-26(33)31-24(19-21-11-5-4-6-12-21)27(34)30-16-9-14-22-13-7-8-15-25(22)36-18-17-29-23/h4-8,11-13,15,23-24,29H,3,9-10,14,16-20H2,1-2H3,(H,30,34)(H,31,33)/t23-,24+/m0/s1 | PDB
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50307126
(CHEMBL4160816)Show SMILES COc1cc2nc(\C=C\c3ccccn3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C24H30N6O4S/c1-33-21-15-19-20(16-22(21)34-2)28-23(7-6-18-5-3-4-11-26-18)29-24(19)30-13-9-17(10-14-30)8-12-27-35(25,31)32/h3-7,11,15-17,27H,8-10,12-14H2,1-2H3,(H2,25,31,32)/b7-6+ | PDB
Reactome pathway
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| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359246
(CHEMBL1923636)Show SMILES CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C32H46N4O3/c1-5-23(2)29-32(39)36(4)24(3)30(37)35-28(22-25-14-7-6-8-15-25)31(38)34-20-12-11-18-26-16-9-10-17-27(26)19-13-21-33-29/h6-10,14-17,23-24,28-29,33H,5,11-13,18-22H2,1-4H3,(H,34,38)(H,35,37)/t23-,24+,28+,29-/m0/s1 | PDB
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| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359245
(CHEMBL1923635)Show SMILES CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C31H44N4O3/c1-5-22(2)28-31(38)35(4)23(3)29(36)34-27(21-24-13-7-6-8-14-24)30(37)33-20-12-18-26-16-10-9-15-25(26)17-11-19-32-28/h6-10,13-16,22-23,27-28,32H,5,11-12,17-21H2,1-4H3,(H,33,37)(H,34,36)/t22-,23+,27+,28-/m0/s1 | PDB
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| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359255
(CHEMBL1923501)Show SMILES CCC[C@@H]1NCCOc2ccccc2\C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O |r,t:15| Show InChI InChI=1S/C28H36N4O4/c1-3-10-23-28(35)32(2)20-26(33)31-24(19-21-11-5-4-6-12-21)27(34)30-16-9-14-22-13-7-8-15-25(22)36-18-17-29-23/h4-9,11-15,23-24,29H,3,10,16-20H2,1-2H3,(H,30,34)(H,31,33)/b14-9+/t23-,24+/m0/s1 | PDB
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| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306037
(CHEMBL4163119)Show SMILES COc1cc2nc(CC3OC(=O)c4ccccc34)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C26H31N5O6S/c1-35-22-13-19-20(14-23(22)36-2)29-24(15-21-17-5-3-4-6-18(17)26(32)37-21)30-25(19)31-11-8-16(9-12-31)7-10-28-38(27,33)34/h3-6,13-14,16,21,28H,7-12,15H2,1-2H3,(H2,27,33,34) | PDB
Reactome pathway
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| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306044
(CHEMBL4163923)Show SMILES COc1cccc(\C=C\c2nc(N3CCC(CCNS(N)(=O)=O)CC3)c3cc(OC)c(OC)cc3n2)c1 Show InChI InChI=1S/C26H33N5O5S/c1-34-20-6-4-5-19(15-20)7-8-25-29-22-17-24(36-3)23(35-2)16-21(22)26(30-25)31-13-10-18(11-14-31)9-12-28-37(27,32)33/h4-8,15-18,28H,9-14H2,1-3H3,(H2,27,32,33)/b8-7+ | PDB
Reactome pathway
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| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359268
(CHEMBL1923619)Show SMILES CC(C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C30H41FN4O4/c1-19(2)27-30(38)35(5)21(4)28(36)34-25(17-22-12-14-24(31)15-13-22)29(37)32-16-8-10-23-9-6-7-11-26(23)39-20(3)18-33-27/h6-7,9,11-15,19-21,25,27,33H,8,10,16-18H2,1-5H3,(H,32,37)(H,34,36)/t20-,21-,25-,27+/m1/s1 | PDB
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| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359258
(CHEMBL1923512)Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN(C)C1=O |r| Show InChI InChI=1S/C28H38N4O5/c1-3-7-23-28(36)32(2)19-26(34)31-24(18-20-11-13-22(33)14-12-20)27(35)30-15-6-9-21-8-4-5-10-25(21)37-17-16-29-23/h4-5,8,10-14,23-24,29,33H,3,6-7,9,15-19H2,1-2H3,(H,30,35)(H,31,34)/t23-,24+/m0/s1 | PDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359242
(CHEMBL1923632)Show SMILES CC[C@H](C)[C@@H]1NCCCC\C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O |r,t:10| Show InChI InChI=1S/C27H42N4O3/c1-5-20(2)24-27(34)31(4)21(3)25(32)30-23(19-22-15-11-10-12-16-22)26(33)29-18-14-9-7-6-8-13-17-28-24/h7,9-12,15-16,20-21,23-24,28H,5-6,8,13-14,17-19H2,1-4H3,(H,29,33)(H,30,32)/b9-7+/t20-,21+,23+,24-/m0/s1 | PDB
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PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359244
(CHEMBL1923634)Show SMILES CC[C@H](C)[C@@H]1NCCOc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C29H40N4O4/c1-5-20(2)26-29(36)33(4)21(3)27(34)32-24(19-22-11-7-6-8-12-22)28(35)31-16-15-23-13-9-10-14-25(23)37-18-17-30-26/h6-14,20-21,24,26,30H,5,15-19H2,1-4H3,(H,31,35)(H,32,34)/t20-,21+,24+,26-/m0/s1 | PDB
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| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50307248
(CHEMBL4174875)Show SMILES COc1cc2nc(\C=C\c3ccccc3F)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C25H30FN5O4S/c1-34-22-15-19-21(16-23(22)35-2)29-24(8-7-18-5-3-4-6-20(18)26)30-25(19)31-13-10-17(11-14-31)9-12-28-36(27,32)33/h3-8,15-17,28H,9-14H2,1-2H3,(H2,27,32,33)/b8-7+ | PDB
Reactome pathway
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PubMed
| 211 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50307128
(CHEMBL4164216)Show SMILES COc1cc2nc(\C=C\c3ccncc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C24H30N6O4S/c1-33-21-15-19-20(16-22(21)34-2)28-23(4-3-17-5-10-26-11-6-17)29-24(19)30-13-8-18(9-14-30)7-12-27-35(25,31)32/h3-6,10-11,15-16,18,27H,7-9,12-14H2,1-2H3,(H2,25,31,32)/b4-3+ | PDB
Reactome pathway
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PubMed
| 218 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306578
(CHEMBL4166272)Show SMILES COc1ccc(\C=C\c2nc(N3CCC(CCNS(N)(=O)=O)CC3)c3cc(OC)c(OC)cc3n2)cc1 Show InChI InChI=1S/C26H33N5O5S/c1-34-20-7-4-18(5-8-20)6-9-25-29-22-17-24(36-3)23(35-2)16-21(22)26(30-25)31-14-11-19(12-15-31)10-13-28-37(27,32)33/h4-9,16-17,19,28H,10-15H2,1-3H3,(H2,27,32,33)/b9-6+ | PDB
Reactome pathway
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| 231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50307116
(CHEMBL4162412)Show InChI InChI=1S/C16H23N5O3S/c1-24-13-2-3-15-14(10-13)16(19-11-18-15)21-8-5-12(6-9-21)4-7-20-25(17,22)23/h2-3,10-12,20H,4-9H2,1H3,(H2,17,22,23) | PDB
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| 242 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306038
(CHEMBL4159456)Show SMILES COC(=O)c1cccc(\C=C\c2nc(N3CCC(CCNS(N)(=O)=O)CC3)c3cc(OC)c(OC)cc3n2)c1 Show InChI InChI=1S/C27H33N5O6S/c1-36-23-16-21-22(17-24(23)37-2)30-25(8-7-19-5-4-6-20(15-19)27(33)38-3)31-26(21)32-13-10-18(11-14-32)9-12-29-39(28,34)35/h4-8,15-18,29H,9-14H2,1-3H3,(H2,28,34,35)/b8-7+ | PDB
Reactome pathway
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PubMed
| 297 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306040
(CHEMBL4174575)Show SMILES COc1cc2nc(\C=C\c3ccccc3OC)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C26H33N5O5S/c1-34-22-7-5-4-6-19(22)8-9-25-29-21-17-24(36-3)23(35-2)16-20(21)26(30-25)31-14-11-18(12-15-31)10-13-28-37(27,32)33/h4-9,16-18,28H,10-15H2,1-3H3,(H2,27,32,33)/b9-8+ | PDB
Reactome pathway
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| 302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306036
(CHEMBL4171038)Show SMILES COc1cc2nc(CCc3ccc(F)cc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C25H32FN5O4S/c1-34-22-15-20-21(16-23(22)35-2)29-24(8-5-17-3-6-19(26)7-4-17)30-25(20)31-13-10-18(11-14-31)9-12-28-36(27,32)33/h3-4,6-7,15-16,18,28H,5,8-14H2,1-2H3,(H2,27,32,33) | PDB
Reactome pathway
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| 366 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359272
(CHEMBL1923506)Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O |r| Show InChI InChI=1S/C28H38N4O4/c1-3-10-23-28(35)32(2)20-26(33)31-24(19-21-11-5-4-6-12-21)27(34)30-16-9-14-22-13-7-8-15-25(22)36-18-17-29-23/h4-8,11-13,15,23-24,29H,3,9-10,14,16-20H2,1-2H3,(H,30,34)(H,31,33)/t23-,24-/m0/s1 | PDB
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| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359266
(CHEMBL1923615)Show SMILES CC[C@H](C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC1=O)C(C)C |r| Show InChI InChI=1S/C32H46N4O4/c1-6-22(4)29-32(39)36-28(21(2)3)31(38)35-26(19-24-13-8-7-9-14-24)30(37)33-18-12-16-25-15-10-11-17-27(25)40-23(5)20-34-29/h7-11,13-15,17,21-23,26,28-29,34H,6,12,16,18-20H2,1-5H3,(H,33,37)(H,35,38)(H,36,39)/t22-,23+,26+,28+,29-/m0/s1 | PDB
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PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359277
(CHEMBL1923511)Show SMILES CCCC[C@H]1NC(=O)CN(C)C(=O)[C@H](CCC)NCCOc2ccccc2CCCNC1=O |r| Show InChI InChI=1S/C25H40N4O4/c1-4-6-13-20-24(31)27-15-9-12-19-11-7-8-14-22(19)33-17-16-26-21(10-5-2)25(32)29(3)18-23(30)28-20/h7-8,11,14,20-21,26H,4-6,9-10,12-13,15-18H2,1-3H3,(H,27,31)(H,28,30)/t20-,21+/m1/s1 | PDB
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PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
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