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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'loomis' and Initial = 'ak'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50051783
PNG
(CHEMBL3358450)
Show SMILES CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(n[nH]1)-c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C25H35N5O3S/c1-4-30(5-2)18-9-19-34(31,32)29-23(17-12-20-10-7-6-8-11-20)25-26-24(27-28-25)21-13-15-22(33-3)16-14-21/h6-8,10-11,13-16,23,29H,4-5,9,12,17-19H2,1-3H3,(H,26,27,28)/t23-/m1/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human ghrelin receptor by receptor binding assay


J Med Chem 57: 8671-91 (2014)


Article DOI: 10.1021/jm5003183
BindingDB Entry DOI: 10.7270/Q2542Q74
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50051718
PNG
(CHEMBL3358452)
Show SMILES [H][C@]12CCCN1CCN(C2)[C@@H](C(=O)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cccnc1 |r|
Show InChI InChI=1S/C22H23F6N5O/c23-21(24,25)15-9-16(22(26,27)28)11-17(10-15)30-31-20(34)19(14-3-1-5-29-12-14)33-8-7-32-6-2-4-18(32)13-33/h1,3,5,9-12,18-19,30H,2,4,6-8,13H2,(H,31,34)/t18-,19-/m1/s1
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human ghrelin receptor by FLIPR assay


J Med Chem 57: 8671-91 (2014)


Article DOI: 10.1021/jm5003183
BindingDB Entry DOI: 10.7270/Q2542Q74
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50051748
PNG
(CHEMBL3358451)
Show SMILES CN1CCN(CC1)[C@@H](C(=O)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1Cl |r|
Show InChI InChI=1S/C21H21ClF6N4O/c1-31-6-8-32(9-7-31)18(16-4-2-3-5-17(16)22)19(33)30-29-15-11-13(20(23,24)25)10-14(12-15)21(26,27)28/h2-5,10-12,18,29H,6-9H2,1H3,(H,30,33)/t18-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human ghrelin receptor by FLIPR assay


J Med Chem 57: 8671-91 (2014)


Article DOI: 10.1021/jm5003183
BindingDB Entry DOI: 10.7270/Q2542Q74
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50051709
PNG
(CHEMBL3358453)
Show SMILES CC(NC(=O)N(Cc1ccccc1Cl)C1CCN(C)CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H26Cl3N3O/c1-15(18-7-5-9-20(24)21(18)25)26-22(29)28(17-10-12-27(2)13-11-17)14-16-6-3-4-8-19(16)23/h3-9,15,17H,10-14H2,1-2H3,(H,26,29)
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n/an/a 38n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human ghrelin receptor by FLIPR assay


J Med Chem 57: 8671-91 (2014)


Article DOI: 10.1021/jm5003183
BindingDB Entry DOI: 10.7270/Q2542Q74
More data for this
Ligand-Target Pair