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Compile Data Set for Download or QSAR

Found 20 hits of ec50 data for polymerid = 50004883   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Appetite-regulating hormone


(Homo sapiens)
BDBM50359237
PNG
(CHEMBL1923627)
Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(C)cc2)NC1=O)C1CC1
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
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n/an/an/an/a 8.20n/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359236
PNG
(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
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
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n/an/an/an/a 11n/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359262
PNG
(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
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
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n/an/an/an/a 18n/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359261
PNG
(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
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
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n/an/an/an/a 20n/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359259
PNG
(CHEMBL1923610)
Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC1=O)C1CC1
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
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n/an/an/an/a 23n/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359248
PNG
(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
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
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n/an/an/an/a 26n/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359252
PNG
(CHEMBL1923642)
Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2cc(F)ccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1
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
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n/an/an/an/a 27n/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359256
PNG
(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
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
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Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359258
PNG
(CHEMBL1923512)
Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN(C)C1=O
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
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Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359260
PNG
(CHEMBL1923611)
Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
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
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Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359239
PNG
(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
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
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n/an/an/an/a 49n/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359238
PNG
(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
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
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Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359257
PNG
(CHEMBL1923504)
Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
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
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Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359250
PNG
(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
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
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Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359238
PNG
(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
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
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Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359255
PNG
(CHEMBL1923501)
Show SMILES CCC[C@@H]1NCCOc2ccccc2\C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
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
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Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359242
PNG
(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
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
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Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359246
PNG
(CHEMBL1923636)
Show SMILES CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
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
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Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359244
PNG
(CHEMBL1923634)
Show SMILES CC[C@H](C)[C@@H]1NCCOc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
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
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antibodypedia
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CHEMBL
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UniChem

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PubMed
n/an/an/an/a 530n/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359247
PNG
(CHEMBL1923637)
Show SMILES CC1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](N1)C1CC1
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
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/an/an/a 760n/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


Citation and Details
More data for this
Ligand-Target Pair