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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'abdalhameed' and Initial = 'mm'   
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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61609
PNG
(MLS000544709 | N-[2-[(4-chlorobenzyl)thio]-1,3-ben...)
Show SMILES Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1
Show InChI InChI=1S/C26H22ClN3O3S2/c27-18-7-5-17(6-8-18)16-34-26-29-22-10-9-19(15-23(22)35-26)28-24(31)20-3-1-2-4-21(20)25(32)30-11-13-33-14-12-30/h1-10,15H,11-14,16H2,(H,28,31)
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n/an/a 4.56E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition...


Bioorg Med Chem Lett 27: 612-615 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.012
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233949
PNG
(CHEMBL4082295)
Show SMILES Clc1ccc(CS(=O)(=O)c2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1
Show InChI InChI=1S/C26H22ClN3O5S2/c27-18-7-5-17(6-8-18)16-37(33,34)26-29-22-10-9-19(15-23(22)36-26)28-24(31)20-3-1-2-4-21(20)25(32)30-11-13-35-14-12-30/h1-10,15H,11-14,16H2,(H,28,31)
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n/an/a 5.24E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition...


Bioorg Med Chem Lett 27: 612-615 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.012
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM64811
PNG
(2-[4-morpholinyl(oxo)methyl]-N-[2-(phenylmethylthi...)
Show SMILES O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccccc1C(=O)N1CCOCC1
Show InChI InChI=1S/C26H23N3O3S2/c30-24(20-8-4-5-9-21(20)25(31)29-12-14-32-15-13-29)27-19-10-11-22-23(16-19)34-26(28-22)33-17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,30)
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n/an/a 7.23E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition...


Bioorg Med Chem Lett 27: 612-615 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.012
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233953
PNG
(CHEMBL4060393)
Show SMILES [O-][S+](Cc1ccc(Cl)cc1)c1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1
Show InChI InChI=1S/C26H22ClN3O4S2/c27-18-7-5-17(6-8-18)16-36(33)26-29-22-10-9-19(15-23(22)35-26)28-24(31)20-3-1-2-4-21(20)25(32)30-11-13-34-14-12-30/h1-10,15H,11-14,16H2,(H,28,31)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition...


Bioorg Med Chem Lett 27: 612-615 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.012
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233951
PNG
(CHEMBL4081331)
Show SMILES CC(Sc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H24ClN3O3S2/c1-17(18-6-8-19(28)9-7-18)35-27-30-23-11-10-20(16-24(23)36-27)29-25(32)21-4-2-3-5-22(21)26(33)31-12-14-34-15-13-31/h2-11,16-17H,12-15H2,1H3,(H,29,32)
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition...


Bioorg Med Chem Lett 27: 612-615 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.012
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233944
PNG
(CHEMBL4069080)
Show SMILES Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)cc1
Show InChI InChI=1S/C27H24ClN3O2S2/c28-19-10-8-18(9-11-19)17-34-27-30-23-13-12-20(16-24(23)35-27)29-25(32)21-6-2-3-7-22(21)26(33)31-14-4-1-5-15-31/h2-3,6-13,16H,1,4-5,14-15,17H2,(H,29,32)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition...


Bioorg Med Chem Lett 27: 612-615 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.012
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233948
PNG
(CHEMBL4098795)
Show SMILES [O-][S@@+](Cc1ccc(Cl)cc1)c1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1
Show InChI InChI=1S/C26H22ClN3O4S2/c27-18-7-5-17(6-8-18)16-36(33)26-29-22-10-9-19(15-23(22)35-26)28-24(31)20-3-1-2-4-21(20)25(32)30-11-13-34-14-12-30/h1-10,15H,11-14,16H2,(H,28,31)/t36-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition...


Bioorg Med Chem Lett 27: 612-615 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.012
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233947
PNG
(CHEMBL4089199)
Show SMILES O=C(Nc1ccc2nc(SCc3ccncc3)sc2c1)c1ccccc1C(=O)N1CCOCC1
Show InChI InChI=1S/C25H22N4O3S2/c30-23(19-3-1-2-4-20(19)24(31)29-11-13-32-14-12-29)27-18-5-6-21-22(15-18)34-25(28-21)33-16-17-7-9-26-10-8-17/h1-10,15H,11-14,16H2,(H,27,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition...


Bioorg Med Chem Lett 27: 612-615 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.012
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233946
PNG
(CHEMBL4099351)
Show SMILES Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3[nH]2)cc1
Show InChI InChI=1S/C26H23ClN4O3S/c27-18-7-5-17(6-8-18)16-35-26-29-22-10-9-19(15-23(22)30-26)28-24(32)20-3-1-2-4-21(20)25(33)31-11-13-34-14-12-31/h1-10,15H,11-14,16H2,(H,28,32)(H,29,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition...


Bioorg Med Chem Lett 27: 612-615 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.012
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233950
PNG
(CHEMBL4090143)
Show SMILES Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)cc1
Show InChI InChI=1S/C26H22ClN3O2S2/c27-18-9-7-17(8-10-18)16-33-26-29-22-12-11-19(15-23(22)34-26)28-24(31)20-5-1-2-6-21(20)25(32)30-13-3-4-14-30/h1-2,5-12,15H,3-4,13-14,16H2,(H,28,31)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition...


Bioorg Med Chem Lett 27: 612-615 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.012
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233952
PNG
(CHEMBL4071790)
Show SMILES [O-][S@+](Cc1ccc(Cl)cc1)c1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1
Show InChI InChI=1S/C26H22ClN3O4S2/c27-18-7-5-17(6-8-18)16-36(33)26-29-22-10-9-19(15-23(22)35-26)28-24(31)20-3-1-2-4-21(20)25(32)30-11-13-34-14-12-30/h1-10,15H,11-14,16H2,(H,28,31)/t36-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition...


Bioorg Med Chem Lett 27: 612-615 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.012
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50233945
PNG
(CHEBI:18344 | Kynurenic Acid | TRANSTORINE)
Show SMILES OC(=O)c1cc(=O)c2ccccc2[nH]1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at GPR35 (unknown origin)


Bioorg Med Chem Lett 27: 612-615 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.012
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61609
PNG
(MLS000544709 | N-[2-[(4-chlorobenzyl)thio]-1,3-ben...)
Show SMILES Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1
Show InChI InChI=1S/C26H22ClN3O3S2/c27-18-7-5-17(6-8-18)16-34-26-29-22-10-9-19(15-23(22)35-26)28-24(31)20-3-1-2-4-21(20)25(32)30-11-13-33-14-12-30/h1-10,15H,11-14,16H2,(H,28,31)
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n/an/an/an/a 550n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at human N-terminal HA-tagged GPR35a expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition...


Bioorg Med Chem Lett 27: 612-615 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.012
More data for this
Ligand-Target Pair