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Compile Data Set for Download or QSAR

Found 464 hits with Last Name = 'moore' and Initial = 'g'   
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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365814
PNG
(CHEMBL1956993)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc5ncsc5c4)nc3c2=O)C1 |r|
Show InChI InChI=1S/C24H27N5O2S/c1-15(2)28-10-4-5-17(12-28)13-29-16(3)26-20-8-9-22(27-23(20)24(29)30)31-18-6-7-19-21(11-18)32-14-25-19/h6-9,11,14-15,17H,4-5,10,12-13H2,1-3H3/t17-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365815
PNG
(CHEMBL1956994)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(Br)cc4F)nc3c2=O)C1 |r|
Show InChI InChI=1S/C23H26BrFN4O2/c1-14(2)28-10-4-5-16(12-28)13-29-15(3)26-19-7-9-21(27-22(19)23(29)30)31-20-8-6-17(24)11-18(20)25/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3/t16-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365831
PNG
(CHEMBL1957010)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Br)cc4F)nc3c2=O)C1 |r|
Show InChI InChI=1S/C22H25BrFN5O2/c1-13(2)28-8-4-5-15(11-28)12-29-14(3)26-21-20(22(29)30)27-19(10-25-21)31-18-7-6-16(23)9-17(18)24/h6-7,9-10,13,15H,4-5,8,11-12H2,1-3H3/t15-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061031
PNG
((S)-1-[(S)-2-(4-Benzenesulfonylaminocarbonyl-benzo...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C39H45F2N5O8S/c1-24(2)31(33(47)39(40,41)38(52)42-22-21-26-12-7-5-8-13-26)43-36(50)30-16-11-23-46(30)37(51)32(25(3)4)44-34(48)27-17-19-28(20-18-27)35(49)45-55(53,54)29-14-9-6-10-15-29/h5-10,12-15,17-20,24-25,30-32H,11,16,21-23H2,1-4H3,(H,42,52)(H,43,50)(H,44,48)(H,45,49)/t30-,31-,32-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365822
PNG
(CHEMBL1957001)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc5ncsc5c4)cc3c2=O)C1 |r|
Show InChI InChI=1S/C24H27N5O2S/c1-15(2)28-8-4-5-17(12-28)13-29-16(3)27-21-11-25-23(10-19(21)24(29)30)31-18-6-7-20-22(9-18)32-14-26-20/h6-7,9-11,14-15,17H,4-5,8,12-13H2,1-3H3/t17-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365809
PNG
(CHEMBL1956990)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Br)cc4F)cc3c2=O)C1 |r|
Show InChI InChI=1S/C23H26BrFN4O2/c1-14(2)28-8-4-5-16(12-28)13-29-15(3)27-22-19(23(29)30)10-18(11-26-22)31-21-7-6-17(24)9-20(21)25/h6-7,9-11,14,16H,4-5,8,12-13H2,1-3H3/t16-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365820
PNG
(CHEMBL1956999)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc(Cl)cc4F)cc3c2=O)C1 |r|
Show InChI InChI=1S/C23H26ClFN4O2/c1-14(2)28-8-4-5-16(12-28)13-29-15(3)27-20-11-26-22(10-18(20)23(29)30)31-21-7-6-17(24)9-19(21)25/h6-7,9-11,14,16H,4-5,8,12-13H2,1-3H3/t16-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365812
PNG
(CHEMBL1956991)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(Cl)cc4F)nc3c2=O)C1 |r|
Show InChI InChI=1S/C23H26ClFN4O2/c1-14(2)28-10-4-5-16(12-28)13-29-15(3)26-19-7-9-21(27-22(19)23(29)30)31-20-8-6-17(24)11-18(20)25/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3/t16-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365828
PNG
(CHEMBL1957007)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc5ncsc5c4)nc3c2=O)C1 |r|
Show InChI InChI=1S/C23H26N6O2S/c1-14(2)28-8-4-5-16(11-28)12-29-15(3)26-22-21(23(29)30)27-20(10-24-22)31-17-6-7-18-19(9-17)32-13-25-18/h6-7,9-10,13-14,16H,4-5,8,11-12H2,1-3H3/t16-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365830
PNG
(CHEMBL1957009)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(cc4)-c4ccccc4)nc3c2=O)C1 |r|
Show InChI InChI=1S/C28H31N5O2/c1-19(2)32-15-7-8-21(17-32)18-33-20(3)30-27-26(28(33)34)31-25(16-29-27)35-24-13-11-23(12-14-24)22-9-5-4-6-10-22/h4-6,9-14,16,19,21H,7-8,15,17-18H2,1-3H3/t21-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365821
PNG
(CHEMBL1957000)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc5OCOc5c4)cc3c2=O)C1 |r|
Show InChI InChI=1S/C24H28N4O4/c1-15(2)27-8-4-5-17(12-27)13-28-16(3)26-20-11-25-23(10-19(20)24(28)29)32-18-6-7-21-22(9-18)31-14-30-21/h6-7,9-11,15,17H,4-5,8,12-14H2,1-3H3/t17-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061028
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1
Show InChI InChI=1S/C32H42F2N4O5/c1-20(2)26(28(39)32(33,34)19-35-18-22-10-7-6-8-11-22)36-30(41)25-12-9-17-38(25)31(42)27(21(3)4)37-29(40)23-13-15-24(43-5)16-14-23/h6-8,10-11,13-16,20-21,25-27,35H,9,12,17-19H2,1-5H3,(H,36,41)(H,37,40)/t25-,26-,27-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061047
PNG
(((S)-2,2-Difluoro-5-methyl-4-{[(S)-1-((S)-3-methyl...)
Show SMILES CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C29H42F2N4O7/c1-6-7-16-41-27(39)32-17-29(30,31)24(36)22(18(2)3)33-25(37)21-14-11-15-35(21)26(38)23(19(4)5)34-28(40)42-20-12-9-8-10-13-20/h8-10,12-13,18-19,21-23H,6-7,11,14-17H2,1-5H3,(H,32,39)(H,33,37)(H,34,40)/t21-,22-,23-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061043
PNG
(CHEMBL106592 | [(S)-1-((S)-2-{(S)-3,3-Difluoro-1-i...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(=O)c1cccnc1
Show InChI InChI=1S/C30H37F2N5O6/c1-18(2)23(25(38)30(31,32)17-34-26(39)20-10-8-14-33-16-20)35-27(40)22-13-9-15-37(22)28(41)24(19(3)4)36-29(42)43-21-11-6-5-7-12-21/h5-8,10-12,14,16,18-19,22-24H,9,13,15,17H2,1-4H3,(H,34,39)(H,35,40)(H,36,42)/t22-,23-,24-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061037
PNG
(CHEMBL302961 | {(S)-1-[(S)-2-((S)-3-Carbamoyl-3,3-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(N)=O
Show InChI InChI=1S/C25H34F2N4O6/c1-14(2)18(20(32)25(26,27)23(28)35)29-21(33)17-11-8-12-31(17)22(34)19(15(3)4)30-24(36)37-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H2,28,35)(H,29,33)(H,30,36)/t17-,18-,19-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365818
PNG
(CHEMBL1956997)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(cc4)-c4ccccc4)nc3c2=O)C1 |r|
Show InChI InChI=1S/C29H32N4O2/c1-20(2)32-17-7-8-22(18-32)19-33-21(3)30-26-15-16-27(31-28(26)29(33)34)35-25-13-11-24(12-14-25)23-9-5-4-6-10-23/h4-6,9-16,20,22H,7-8,17-19H2,1-3H3/t22-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365824
PNG
(CHEMBL1957003)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc5n(C)cnc5c4)cc3c2=O)C1 |r|
Show InChI InChI=1S/C25H30N6O2/c1-16(2)30-9-5-6-18(13-30)14-31-17(3)28-22-12-26-24(11-20(22)25(31)32)33-19-7-8-23-21(10-19)27-15-29(23)4/h7-8,10-12,15-16,18H,5-6,9,13-14H2,1-4H3/t18-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50031210
PNG
(2-((S)-2-{[(S)-1-((S)-2-Benzyloxycarbonylamino-3-m...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C32H38N4O8/c1-18(2)25(27(37)29-33-22-16-21(31(40)42-5)13-14-24(22)44-29)34-28(38)23-12-9-15-36(23)30(39)26(19(3)4)35-32(41)43-17-20-10-7-6-8-11-20/h6-8,10-11,13-14,16,18-19,23,25-26H,9,12,15,17H2,1-5H3,(H,34,38)(H,35,41)/t23-,25-,26-/m0/s1
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0.580n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365826
PNG
(CHEMBL1957005)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Cl)cc4F)nc3c2=O)C1 |r|
Show InChI InChI=1S/C22H25ClFN5O2/c1-13(2)28-8-4-5-15(11-28)12-29-14(3)26-21-20(22(29)30)27-19(10-25-21)31-18-7-6-16(23)9-17(18)24/h6-7,9-10,13,15H,4-5,8,11-12H2,1-3H3/t15-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061044
PNG
(2-((S)-3-Methyl-2-{[(S)-1-((S)-3-methyl-2-phenoxyc...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C31H36N4O8/c1-17(2)24(26(36)28-32-21-16-19(30(39)41-5)13-14-23(21)43-28)33-27(37)22-12-9-15-35(22)29(38)25(18(3)4)34-31(40)42-20-10-7-6-8-11-20/h6-8,10-11,13-14,16-18,22,24-25H,9,12,15H2,1-5H3,(H,33,37)(H,34,40)/t22-,24-,25-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061035
PNG
(2-((S)-3-Methyl-2-{[(S)-1-((S)-3-methyl-2-phenoxyc...)
Show SMILES COC(=O)c1ccc2nc(oc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C31H36N4O8/c1-17(2)24(26(36)28-32-21-14-13-19(30(39)41-5)16-23(21)43-28)33-27(37)22-12-9-15-35(22)29(38)25(18(3)4)34-31(40)42-20-10-7-6-8-11-20/h6-8,10-11,13-14,16-18,22,24-25H,9,12,15H2,1-5H3,(H,33,37)(H,34,40)/t22-,24-,25-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061049
PNG
(2-[(S)-2-({(S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C32H38N4O8/c1-17(2)25(27(37)30-33-22-16-20(32(41)43-6)11-14-24(22)44-30)34-29(39)23-8-7-15-36(23)31(40)26(18(3)4)35-28(38)19-9-12-21(42-5)13-10-19/h9-14,16-18,23,25-26H,7-8,15H2,1-6H3,(H,34,39)(H,35,38)/t23-,25-,26-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061054
PNG
(CHEMBL110125 | CHEMBL66128 | {(S)-1-[(S)-2-((S)-4-...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CN
Show InChI InChI=1S/C24H34F2N4O5/c1-14(2)18(20(31)24(25,26)13-27)28-21(32)17-11-8-12-30(17)22(33)19(15(3)4)29-23(34)35-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13,27H2,1-4H3,(H,28,32)(H,29,34)/t17-,18-,19-/m0/s1
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0.810n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061036
PNG
(CHEMBL304114 | {(S)-1-[(S)-2-((S)-3,3-Difluoro-1-i...)
Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C25H34F2N4O6/c1-14(2)18(20(32)25(26,27)23(35)28-5)29-21(33)17-12-9-13-31(17)22(34)19(15(3)4)30-24(36)37-16-10-7-6-8-11-16/h6-8,10-11,14-15,17-19H,9,12-13H2,1-5H3,(H,28,35)(H,29,33)(H,30,36)/t17-,18-,19-/m0/s1
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0.850n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365813
PNG
(CHEMBL1956992)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc5OCOc5c4)nc3c2=O)C1 |r|
Show InChI InChI=1S/C24H28N4O4/c1-15(2)27-10-4-5-17(12-27)13-28-16(3)25-19-7-9-22(26-23(19)24(28)29)32-18-6-8-20-21(11-18)31-14-30-20/h6-9,11,15,17H,4-5,10,12-14H2,1-3H3/t17-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061027
PNG
(((S)-4-{[(S)-1-((S)-2-Benzyloxycarbonylamino-3-met...)
Show SMILES CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C30H44F2N4O7/c1-6-7-16-42-28(40)33-18-30(31,32)25(37)23(19(2)3)34-26(38)22-14-11-15-36(22)27(39)24(20(4)5)35-29(41)43-17-21-12-9-8-10-13-21/h8-10,12-13,19-20,22-24H,6-7,11,14-18H2,1-5H3,(H,33,40)(H,34,38)(H,35,41)/t22-,23-,24-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058391
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058344
PNG
(CHEMBL417935 | {(S)-2-Methyl-1-[(S)-2-((S)-3,3,3-t...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O5/c1-13(2)17(19(30)23(24,25)26)27-20(31)16-11-8-12-29(16)21(32)18(14(3)4)28-22(33)34-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,27,31)(H,28,33)/t16-,17-,18-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365827
PNG
(CHEMBL1957006)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc5OCOc5c4)nc3c2=O)C1 |r|
Show InChI InChI=1S/C23H27N5O4/c1-14(2)27-8-4-5-16(11-27)12-28-15(3)25-22-21(23(28)29)26-20(10-24-22)32-17-6-7-18-19(9-17)31-13-30-18/h6-7,9-10,14,16H,4-5,8,11-13H2,1-3H3/t16-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061023
PNG
(CHEMBL323231 | CHEMBL68577 | {(S)-1-[(S)-2-((S)-4-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1
Show InChI InChI=1S/C32H42F2N4O5/c1-21(2)26(28(39)32(33,34)20-35-18-23-12-7-5-8-13-23)36-29(40)25-16-11-17-38(25)30(41)27(22(3)4)37-31(42)43-19-24-14-9-6-10-15-24/h5-10,12-15,21-22,25-27,35H,11,16-20H2,1-4H3,(H,36,40)(H,37,42)/t25-,26-,27-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061052
PNG
(CHEMBL110364 | [(S)-1-((S)-2-{(S)-3,3-Difluoro-1-i...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCc1ccccn1
Show InChI InChI=1S/C30H37F2N5O6/c1-18(2)23(25(38)30(31,32)28(41)34-17-20-11-8-9-15-33-20)35-26(39)22-14-10-16-37(22)27(40)24(19(3)4)36-29(42)43-21-12-6-5-7-13-21/h5-9,11-13,15,18-19,22-24H,10,14,16-17H2,1-4H3,(H,34,41)(H,35,39)(H,36,42)/t22-,23-,24-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365810
PNG
(CHEMBL1956987)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(cc4)-c4ccccc4)cc3c2=O)C1 |r|
Show InChI InChI=1S/C29H32N4O2/c1-20(2)32-15-7-8-22(18-32)19-33-21(3)31-28-27(29(33)34)16-26(17-30-28)35-25-13-11-24(12-14-25)23-9-5-4-6-10-23/h4-6,9-14,16-17,20,22H,7-8,15,18-19H2,1-3H3/t22-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365829
PNG
(CHEMBL1957008)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(F)c5cccnc45)nc3c2=O)C1 |r|
Show InChI InChI=1S/C25H27FN6O2/c1-15(2)31-11-5-6-17(13-31)14-32-16(3)29-24-23(25(32)33)30-21(12-28-24)34-20-9-8-19(26)18-7-4-10-27-22(18)20/h4,7-10,12,15,17H,5-6,11,13-14H2,1-3H3/t17-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061040
PNG
(CHEMBL2370419 | {(S)-2-Methyl-1-[(S)-2-(3,3,3-trif...)
Show SMILES CC(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H34F3N3O5/c1-12(2)16(18(29)22(23,24)25)26-19(30)15-10-7-11-28(15)20(31)17(13(3)4)27-21(32)33-14-8-5-6-9-14/h12-17H,5-11H2,1-4H3,(H,26,30)(H,27,32)/t15-,16-,17-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365811
PNG
(CHEMBL1956988)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)cc4)nc3c2=O)C1 |r|
Show InChI InChI=1S/C23H27FN4O2/c1-15(2)27-12-4-5-17(13-27)14-28-16(3)25-20-10-11-21(26-22(20)23(28)29)30-19-8-6-18(24)7-9-19/h6-11,15,17H,4-5,12-14H2,1-3H3/t17-/m0/s1
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2n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061045
PNG
(CHEMBL110174 | {(S)-1-[(S)-2-((S)-4-Acetylamino-3,...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(C)=O
Show InChI InChI=1S/C26H36F2N4O6/c1-15(2)20(22(34)26(27,28)14-29-17(5)33)30-23(35)19-12-9-13-32(19)24(36)21(16(3)4)31-25(37)38-18-10-7-6-8-11-18/h6-8,10-11,15-16,19-21H,9,12-14H2,1-5H3,(H,29,33)(H,30,35)(H,31,37)/t19-,20-,21-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365817
PNG
(CHEMBL1956996)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)c5cccnc45)nc3c2=O)C1 |r|
Show InChI InChI=1S/C26H28FN5O2/c1-16(2)31-13-5-6-18(14-31)15-32-17(3)29-21-9-11-23(30-25(21)26(32)33)34-22-10-8-20(27)19-7-4-12-28-24(19)22/h4,7-12,16,18H,5-6,13-15H2,1-3H3/t18-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036058
PNG
(CHEMBL354883 | benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-14(2)18(20(31)24(25,26)27)28-21(32)17-11-8-12-30(17)22(33)19(15(3)4)29-23(34)35-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H,28,32)(H,29,34)/t17-,18-,19-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061038
PNG
(CHEMBL308415 | {(S)-1-[(S)-2-((S)-3,3-Difluoro-1-i...)
Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C26H36F2N4O6/c1-15(2)19(21(33)26(27,28)24(36)29-5)30-22(34)18-12-9-13-32(18)23(35)20(16(3)4)31-25(37)38-14-17-10-7-6-8-11-17/h6-8,10-11,15-16,18-20H,9,12-14H2,1-5H3,(H,29,36)(H,30,34)(H,31,37)/t18-,19-,20-/m0/s1
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3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365825
PNG
(CHEMBL1957004)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(F)cc4)nc3c2=O)C1 |r|
Show InChI InChI=1S/C22H26FN5O2/c1-14(2)27-10-4-5-16(12-27)13-28-15(3)25-21-20(22(28)29)26-19(11-24-21)30-18-8-6-17(23)7-9-18/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3/t16-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061039
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCc1ccccn1
Show InChI InChI=1S/C31H39F2N5O6/c1-18(2)24(26(39)31(32,33)30(43)35-17-21-9-6-7-15-34-21)36-28(41)23-10-8-16-38(23)29(42)25(19(3)4)37-27(40)20-11-13-22(44-5)14-12-20/h6-7,9,11-15,18-19,23-25H,8,10,16-17H2,1-5H3,(H,35,43)(H,36,41)(H,37,40)/t23-,24-,25-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365816
PNG
(CHEMBL1956995)
Show SMILES COc1ccc2cccc(Oc3ccc4nc(C)n(C[C@H]5CCCN(C5)C(C)C)c(=O)c4n3)c2n1 |r|
Show InChI InChI=1S/C27H31N5O3/c1-17(2)31-14-6-7-19(15-31)16-32-18(3)28-21-11-13-24(30-26(21)27(32)33)35-22-9-5-8-20-10-12-23(34-4)29-25(20)22/h5,8-13,17,19H,6-7,14-16H2,1-4H3/t19-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058391
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365819
PNG
(CHEMBL1956998)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc(F)cc4)cc3c2=O)C1 |r|
Show InChI InChI=1S/C23H27FN4O2/c1-15(2)27-10-4-5-17(13-27)14-28-16(3)26-21-12-25-22(11-20(21)23(28)29)30-19-8-6-18(24)7-9-19/h6-9,11-12,15,17H,4-5,10,13-14H2,1-3H3/t17-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061046
PNG
(CHEMBL110400 | [(S)-2,2-Difluoro-4-({(S)-1-[(S)-2-...)
Show SMILES CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C30H44F2N4O7/c1-7-8-16-43-29(41)33-17-30(31,32)25(37)23(18(2)3)34-27(39)22-10-9-15-36(22)28(40)24(19(4)5)35-26(38)20-11-13-21(42-6)14-12-20/h11-14,18-19,22-24H,7-10,15-17H2,1-6H3,(H,33,41)(H,34,39)(H,35,38)/t22-,23-,24-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061048
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C26H36F2N4O6/c1-14(2)19(21(33)26(27,28)25(37)29-5)30-23(35)18-8-7-13-32(18)24(36)20(15(3)4)31-22(34)16-9-11-17(38-6)12-10-16/h9-12,14-15,18-20H,7-8,13H2,1-6H3,(H,29,37)(H,30,35)(H,31,34)/t18-,19-,20-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50222869
PNG
(6-(4-fluorophenoxy)-3-{[(3S)-1-isopropylpiperidin-...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
Show InChI InChI=1S/C24H28FN3O2/c1-16(2)27-12-4-5-18(14-27)15-28-17(3)26-23-11-10-21(13-22(23)24(28)29)30-20-8-6-19(25)7-9-20/h6-11,13,16,18H,4-5,12,14-15H2,1-3H3/t18-/m0/s1
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4n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061041
PNG
(CHEMBL108504 | CHEMBL305259 | {(S)-1-[(S)-2-((S)-4...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1
Show InChI InChI=1S/C31H40F2N4O5/c1-20(2)25(27(38)31(32,33)19-34-18-22-12-7-5-8-13-22)35-28(39)24-16-11-17-37(24)29(40)26(21(3)4)36-30(41)42-23-14-9-6-10-15-23/h5-10,12-15,20-21,24-26,34H,11,16-19H2,1-4H3,(H,35,39)(H,36,41)/t24-,25-,26-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50031199
PNG
(((S)-1-{(S)-2-[(S)-1-(Benzooxazole-2-carbonyl)-2-m...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H36N4O6/c1-18(2)24(26(35)28-31-21-13-8-9-15-23(21)40-28)32-27(36)22-14-10-16-34(22)29(37)25(19(3)4)33-30(38)39-17-20-11-6-5-7-12-20/h5-9,11-13,15,18-19,22,24-25H,10,14,16-17H2,1-4H3,(H,32,36)(H,33,38)/t22-,24-,25-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365832
PNG
(CHEMBL1957011)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc5n(C)cnc5c4)nc3c2=O)C1 |r|
Show InChI InChI=1S/C24H29N7O2/c1-15(2)30-9-5-6-17(12-30)13-31-16(3)27-23-22(24(31)32)28-21(11-25-23)33-18-7-8-20-19(10-18)26-14-29(20)4/h7-8,10-11,14-15,17H,5-6,9,12-13H2,1-4H3/t17-/m0/s1
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5n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
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