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Compile Data Set for Download or QSAR

Found 545 hits with Last Name = 'schaefer' and Initial = 'v'   
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))
BDBM19386
PNG
(2,4-diaminopyrimidine derivative, 8b | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C25H24N6O3/c26-24-23(22(29-25(27)30-24)16-34-15-18-4-2-1-3-5-18)19-8-10-20(11-9-19)28-14-17-6-12-21(13-7-17)31(32)33/h1-13,28H,14-16H2,(H4,26,27,29,30)
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n/an/a 0.200n/a 5.80n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19387
PNG
(2,4-diaminopyrimidine derivative, 8c | 6-[(benzylo...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N5O3S/c1-35(32,33)22-13-7-18(8-14-22)15-29-21-11-9-20(10-12-21)24-23(30-26(28)31-25(24)27)17-34-16-19-5-3-2-4-6-19/h2-14,29H,15-17H2,1H3,(H4,27,28,30,31)
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n/an/a 0.300n/a 7.20n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19387
PNG
(2,4-diaminopyrimidine derivative, 8c | 6-[(benzylo...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N5O3S/c1-35(32,33)22-13-7-18(8-14-22)15-29-21-11-9-20(10-12-21)24-23(30-26(28)31-25(24)27)17-34-16-19-5-3-2-4-6-19/h2-14,29H,15-17H2,1H3,(H4,27,28,30,31)
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n/an/a 0.300n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50181180
PNG
(CHEMBL377514 | N-(3,5-dimethylbenzyl)-3-(5-(4-(4-(...)
Show SMILES Cc1cc(C)cc(CNC(=O)CCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(cc3)S(C)(=O)=O)cc2)c1
Show InChI InChI=1S/C30H34N6O3S/c1-19-14-20(2)16-22(15-19)18-34-27(37)13-12-26-28(29(31)36-30(32)35-26)23-6-8-24(9-7-23)33-17-21-4-10-25(11-5-21)40(3,38)39/h4-11,14-16,33H,12-13,17-18H2,1-3H3,(H,34,37)(H4,31,32,35,36)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50181184
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((3-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6]-c1nc(-[#7])nc(-[#7])c1-c1ccc(-[#7]-[#6]-c2ccc(cc2)S([#6])(=O)=O)cc1
Show InChI InChI=1S/C24H29N5O3S/c1-16(2)12-13-32-15-21-22(23(25)29-24(26)28-21)18-6-8-19(9-7-18)27-14-17-4-10-20(11-5-17)33(3,30)31/h4-12,27H,13-15H2,1-3H3,(H4,25,26,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50105186
PNG
(4-(4-Trifluoromethyl-phenoxy)-thieno[2,3-c]pyridin...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)C(F)(F)F)cncc2s1
Show InChI InChI=1S/C16H11F3N2O2S/c1-20-15(22)13-6-11-12(7-21-8-14(11)24-13)23-10-4-2-9(3-5-10)16(17,18)19/h2-8H,1H3,(H,20,22)
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of selectin E in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19403
PNG
(2,4-diaminopyrimidine derivative, 11a | 6-[(benzyl...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C25H24N6O3/c26-24-23(22(29-25(27)30-24)16-34-15-18-4-2-1-3-5-18)19-8-6-17(7-9-19)14-28-20-10-12-21(13-11-20)31(32)33/h1-13,28H,14-16H2,(H4,26,27,29,30)
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n/an/a 0.800n/a 16n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19388
PNG
(2,4-diaminopyrimidine derivative, 8d | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C26H24F3N5O3S/c27-26(28,29)38(35,36)21-12-6-17(7-13-21)14-32-20-10-8-19(9-11-20)23-22(33-25(31)34-24(23)30)16-37-15-18-4-2-1-3-5-18/h1-13,32H,14-16H2,(H4,30,31,33,34)
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Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50105151
PNG
(4-(4-Vinyl-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(C=C)cc3)cncc2s1
Show InChI InChI=1S/C16H12N2O2S/c1-2-10-3-5-11(6-4-10)20-13-8-18-9-15-12(13)7-14(21-15)16(17)19/h2-9H,1H2,(H2,17,19)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of selectin E in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105186
PNG
(4-(4-Trifluoromethyl-phenoxy)-thieno[2,3-c]pyridin...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)C(F)(F)F)cncc2s1
Show InChI InChI=1S/C16H11F3N2O2S/c1-20-15(22)13-6-11-12(7-21-8-14(11)24-13)23-10-4-2-9(3-5-10)16(17,18)19/h2-8H,1H3,(H,20,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19389
PNG
(1-(4-{[(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimi...)
Show SMILES CC(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1
Show InChI InChI=1S/C27H27N5O2/c1-18(33)21-9-7-19(8-10-21)15-30-23-13-11-22(12-14-23)25-24(31-27(29)32-26(25)28)17-34-16-20-5-3-2-4-6-20/h2-14,30H,15-17H2,1H3,(H4,28,29,31,32)
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Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105227
PNG
(4-[4-(Tetrahydro-pyran-2-yloxymethyl)-phenoxy]-thi...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(COC4CCCCO4)cc3)cncc2s1
Show InChI InChI=1S/C20H20N2O4S/c21-20(23)17-9-15-16(10-22-11-18(15)27-17)26-14-6-4-13(5-7-14)12-25-19-3-1-2-8-24-19/h4-7,9-11,19H,1-3,8,12H2,(H2,21,23)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50181214
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((4-...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CNc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H25FN6O2S/c1-35(33,34)21-12-2-16(3-13-21)14-29-19-8-4-17(5-9-19)23-22(31-25(28)32-24(23)27)15-30-20-10-6-18(26)7-11-20/h2-13,29-30H,14-15H2,1H3,(H4,27,28,31,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19390
PNG
(2,4-diaminopyrimidine derivative, 8f | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccnc(Cl)c2)cc1
Show InChI InChI=1S/C24H23ClN6O/c25-21-12-17(10-11-28-21)13-29-19-8-6-18(7-9-19)22-20(30-24(27)31-23(22)26)15-32-14-16-4-2-1-3-5-16/h1-12,29H,13-15H2,(H4,26,27,30,31)
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Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50181184
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((3-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6]-c1nc(-[#7])nc(-[#7])c1-c1ccc(-[#7]-[#6]-c2ccc(cc2)S([#6])(=O)=O)cc1
Show InChI InChI=1S/C24H29N5O3S/c1-16(2)12-13-32-15-21-22(23(25)29-24(26)28-21)18-6-8-19(9-7-18)27-14-17-4-10-20(11-5-17)33(3,30)31/h4-12,27H,13-15H2,1-3H3,(H4,25,26,28,29)
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n/an/a 1.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50158330
PNG
((+/-)isobutyl 8-chloro-2-((4-(diethylamino)phenyl)...)
Show SMILES CCN(CC)c1ccc(NC(=O)C2(CCc3cccc(Cl)c3C2)NC(=O)OCC(C)C)cc1
Show InChI InChI=1S/C26H34ClN3O3/c1-5-30(6-2)21-12-10-20(11-13-21)28-24(31)26(29-25(32)33-17-18(3)4)15-14-19-8-7-9-23(27)22(19)16-26/h7-13,18H,5-6,14-17H2,1-4H3,(H,28,31)(H,29,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to GHSR


J Med Chem 47: 6655-7 (2004)


Article DOI: 10.1021/jm0491750
BindingDB Entry DOI: 10.7270/Q237786M
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50105201
PNG
(4-(4-Imidazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-n3ccnc3)cncc2s1
Show InChI InChI=1S/C18H14N4O2S/c1-19-18(23)16-8-14-15(9-21-10-17(14)25-16)24-13-4-2-12(3-5-13)22-7-6-20-11-22/h2-11H,1H3,(H,19,23)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of selectin E in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50105227
PNG
(4-[4-(Tetrahydro-pyran-2-yloxymethyl)-phenoxy]-thi...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(COC4CCCCO4)cc3)cncc2s1
Show InChI InChI=1S/C20H20N2O4S/c21-20(23)17-9-15-16(10-22-11-18(15)27-17)26-14-6-4-13(5-7-14)12-25-19-3-1-2-8-24-19/h4-7,9-11,19H,1-3,8,12H2,(H2,21,23)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of selectin E in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105156
PNG
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(COCCOCCOC)cc3)cncc2s1
Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory potency compared to IL-1beta induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay)


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105151
PNG
(4-(4-Vinyl-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(C=C)cc3)cncc2s1
Show InChI InChI=1S/C16H12N2O2S/c1-2-10-3-5-11(6-4-10)20-13-8-18-9-15-12(13)7-14(21-15)16(17)19/h2-9H,1H2,(H2,17,19)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105215
PNG
(4-(4-Cyano-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(cc3)C#N)cncc2s1
Show InChI InChI=1S/C15H9N3O2S/c16-6-9-1-3-10(4-2-9)20-12-7-18-8-14-11(12)5-13(21-14)15(17)19/h1-5,7-8H,(H2,17,19)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50181191
PNG
(CHEMBL205711 | N-(3-chlorobenzyl)-3-(5-(4-(4-(meth...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CCC(=O)NCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C28H29ClN6O3S/c1-39(37,38)23-11-5-18(6-12-23)16-32-22-9-7-20(8-10-22)26-24(34-28(31)35-27(26)30)13-14-25(36)33-17-19-3-2-4-21(29)15-19/h2-12,15,32H,13-14,16-17H2,1H3,(H,33,36)(H4,30,31,34,35)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19377
PNG
(2,4-diaminopyrimidine derivative, 7c | 5-(4-{[(3,5...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(c(F)c2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H21F2N5O2S/c1-3-16-17(19(23)27-20(24)26-16)12-4-6-13(7-5-12)25-10-11-8-14(21)18(15(22)9-11)30(2,28)29/h4-9,25H,3,10H2,1-2H3,(H4,23,24,26,27)
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n/an/a 2.40n/a 45n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50181217
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((me...)
Show SMILES CN(Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C26H28N6O2S/c1-32(21-6-4-3-5-7-21)17-23-24(25(27)31-26(28)30-23)19-10-12-20(13-11-19)29-16-18-8-14-22(15-9-18)35(2,33)34/h3-15,29H,16-17H2,1-2H3,(H4,27,28,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50181182
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((fu...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccco2)cc1
Show InChI InChI=1S/C24H25N5O4S/c1-34(30,31)20-10-4-16(5-11-20)13-27-18-8-6-17(7-9-18)22-21(28-24(26)29-23(22)25)15-32-14-19-3-2-12-33-19/h2-12,27H,13-15H2,1H3,(H4,25,26,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19391
PNG
(2,4-diaminopyrimidine derivative, 8g | 4-{[(4-{2,4...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H24N6O/c27-14-18-6-8-19(9-7-18)15-30-22-12-10-21(11-13-22)24-23(31-26(29)32-25(24)28)17-33-16-20-4-2-1-3-5-20/h1-13,30H,15-17H2,(H4,28,29,31,32)
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Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50181201
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-(iso...)
Show SMILES CC(C)CCOCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H31N5O3S/c1-16(2)12-13-32-15-21-22(23(25)29-24(26)28-21)18-6-8-19(9-7-18)27-14-17-4-10-20(11-5-17)33(3,30)31/h4-11,16,27H,12-15H2,1-3H3,(H4,25,26,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50105155
PNG
(4-(4-Cyano-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)C(=O)CC(C)(O)c3ccc(Oc4cncc5sc(cc45)C(=O)NC)cc3)cncc2s1
Show InChI InChI=1S/C34H28N4O6S2/c1-34(42,20-6-10-22(11-7-20)44-27-16-38-18-31-24(27)13-29(46-31)33(41)36-3)14-25(39)19-4-8-21(9-5-19)43-26-15-37-17-30-23(26)12-28(45-30)32(40)35-2/h4-13,15-18,42H,14H2,1-3H3,(H,35,40)(H,36,41)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of selectin E in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19392
PNG
(2,4-diaminopyrimidine derivative, 8h | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H24F3N5O/c27-26(28,29)20-10-6-17(7-11-20)14-32-21-12-8-19(9-13-21)23-22(33-25(31)34-24(23)30)16-35-15-18-4-2-1-3-5-18/h1-13,32H,14-16H2,(H4,30,31,33,34)
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n/an/a 2.90n/a 97n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50181180
PNG
(CHEMBL377514 | N-(3,5-dimethylbenzyl)-3-(5-(4-(4-(...)
Show SMILES Cc1cc(C)cc(CNC(=O)CCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(cc3)S(C)(=O)=O)cc2)c1
Show InChI InChI=1S/C30H34N6O3S/c1-19-14-20(2)16-22(15-19)18-34-27(37)13-12-26-28(29(31)36-30(32)35-26)23-6-8-24(9-7-23)33-17-21-4-10-25(11-5-21)40(3,38)39/h4-11,14-16,33H,12-13,17-18H2,1-3H3,(H,34,37)(H4,31,32,35,36)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50105215
PNG
(4-(4-Cyano-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(cc3)C#N)cncc2s1
Show InChI InChI=1S/C15H9N3O2S/c16-6-9-1-3-10(4-2-9)20-12-7-18-8-14-11(12)5-13(21-14)15(17)19/h1-5,7-8H,(H2,17,19)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of selectin E in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50153531
PNG
(3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethy...)
Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(CCC2OCCCO2)onc1-c1c(Cl)cccc1Cl |wU:8.11,wD:5.4,(8.75,-.96,;7.28,-.47,;6.14,-1.52,;6.45,-3.02,;7.92,-3.51,;4.67,-1.03,;4.35,.47,;2.88,.95,;1.75,-.05,;2.06,-1.59,;3.52,-2.05,;.29,.39,;-.86,-.63,;-.53,-2.15,;-2.33,-.17,;-2.8,1.31,;-1.91,2.54,;-2.54,3.94,;-1.63,5.2,;-2.26,6.6,;-1.35,7.82,;.17,7.66,;.8,6.28,;-.09,5.06,;-4.33,1.28,;-4.82,-.17,;-3.56,-1.07,;-3.56,-2.61,;-2.21,-3.38,;-.68,-3.38,;-2.21,-4.92,;-3.56,-5.7,;-4.89,-4.92,;-4.89,-3.38,;-6.22,-2.61,)|
Show InChI InChI=1S/C26H35Cl2N3O4/c1-3-31(4-2)18-11-9-17(10-12-18)29-26(32)24-21(13-14-22-33-15-6-16-34-22)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-8,17-18,22H,3-4,6,9-16H2,1-2H3,(H,29,32)/t17-,18-
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit ghrelin induced increase in intracellular [Ca2+] in CHO-K cells


Bioorg Med Chem Lett 14: 5223-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.060
BindingDB Entry DOI: 10.7270/Q2Z60NJD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105162
PNG
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory potency compared to TNF-alpha induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay)


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105162
PNG
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory potency compared to IL-1beta induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay)


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50181229
PNG
(5-[4-(4-methanesulfonyl-benzylamino)-phenyl]-6-(5-...)
Show SMILES Cc1ccc(COCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(cc3)S(C)(=O)=O)cc2)o1
Show InChI InChI=1S/C25H27N5O4S/c1-16-3-10-20(34-16)14-33-15-22-23(24(26)30-25(27)29-22)18-6-8-19(9-7-18)28-13-17-4-11-21(12-5-17)35(2,31)32/h3-12,28H,13-15H2,1-2H3,(H4,26,27,29,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19409
PNG
(2,4-diaminopyrimidine derivative, 13 | 6-ethyl-5-(...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(cc1)N(C)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H25N5O2S/c1-4-18-19(20(22)25-21(23)24-18)15-7-9-16(10-8-15)26(2)13-14-5-11-17(12-6-14)29(3,27)28/h5-12H,4,13H2,1-3H3,(H4,22,23,24,25)
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Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105155
PNG
(4-(4-Cyano-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)C(=O)CC(C)(O)c3ccc(Oc4cncc5sc(cc45)C(=O)NC)cc3)cncc2s1
Show InChI InChI=1S/C34H28N4O6S2/c1-34(42,20-6-10-22(11-7-20)44-27-16-38-18-31-24(27)13-29(46-31)33(41)36-3)14-25(39)19-4-8-21(9-5-19)43-26-15-37-17-30-23(26)12-28(45-30)32(40)35-2/h4-13,15-18,42H,14H2,1-3H3,(H,35,40)(H,36,41)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50181225
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((be...)
Show SMILES CN(Cc1ccccc1)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C27H30N6O2S/c1-33(17-20-6-4-3-5-7-20)18-24-25(26(28)32-27(29)31-24)21-10-12-22(13-11-21)30-16-19-8-14-23(15-9-19)36(2,34)35/h3-15,30H,16-18H2,1-2H3,(H4,28,29,31,32)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105195
PNG
(4-(4-Pyrazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-2...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-n3cccn3)cncc2s1
Show InChI InChI=1S/C18H14N4O2S/c1-19-18(23)16-9-14-15(10-20-11-17(14)25-16)24-13-5-3-12(4-6-13)22-8-2-7-21-22/h2-11H,1H3,(H,19,23)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50105162
PNG
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of selectin E in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50105162
PNG
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory potency compared to TNF-alpha induced Selectin E expression in human endothelial cells (ELISA assay)


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50105156
PNG
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(COCCOCCOC)cc3)cncc2s1
Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory potency compared to TNF-alpha induced Selectin E in human endothelial cells (ELISA assay)


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105178
PNG
(4-(4-Iodo-phenoxy)-thieno[2,3-c]pyridine-2-carboxy...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1
Show InChI InChI=1S/C14H9IN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50105195
PNG
(4-(4-Pyrazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-2...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-n3cccn3)cncc2s1
Show InChI InChI=1S/C18H14N4O2S/c1-19-18(23)16-9-14-15(10-20-11-17(14)25-16)24-13-5-3-12(4-6-13)22-8-2-7-21-22/h2-11H,1H3,(H,19,23)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of selectin E in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105196
PNG
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)
Show SMILES COCCOCCOCc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1
Show InChI InChI=1S/C20H22N2O5S/c1-24-6-7-25-8-9-26-13-14-2-4-15(5-3-14)27-17-11-22-12-19-16(17)10-18(28-19)20(21)23/h2-5,10-12H,6-9,13H2,1H3,(H2,21,23)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19407
PNG
(2,4-diaminopyrimidine derivative, 12a | 5-(3-chlor...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C20H22ClN5O2S/c1-3-16-18(19(22)26-20(23)25-16)13-6-9-17(15(21)10-13)24-11-12-4-7-14(8-5-12)29(2,27)28/h4-10,24H,3,11H2,1-2H3,(H4,22,23,25,26)
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n/an/a 4.20n/a 11n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105162
PNG
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105205
PNG
(4-(4-Imidazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(cc3)-n3ccnc3)cncc2s1
Show InChI InChI=1S/C17H12N4O2S/c18-17(22)15-7-13-14(8-20-9-16(13)24-15)23-12-3-1-11(2-4-12)21-6-5-19-10-21/h1-10H,(H2,18,22)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50105196
PNG
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)
Show SMILES COCCOCCOCc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1
Show InChI InChI=1S/C20H22N2O5S/c1-24-6-7-25-8-9-26-13-14-2-4-15(5-3-14)27-17-11-22-12-19-16(17)10-18(28-19)20(21)23/h2-5,10-12H,6-9,13H2,1H3,(H2,21,23)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of selectin E in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105156
PNG
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(COCCOCCOC)cc3)cncc2s1
Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory potency compared to TNF-alpha induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay)


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
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