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Compile Data Set for Download or QSAR

Found 168 hits Enz. Inhib. hit(s) with all data for entry = 50010765   
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
Selectin E


(Homo sapiens (Human))
BDBM50098480
PNG
(4-(4-Bromo-phenylsulfanyl)-thieno[2,3-c]pyridine-2...)
Show SMILES NC(=O)c1cc2c(Sc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C14H9BrN2OS2/c15-8-1-3-9(4-2-8)19-12-6-17-7-13-10(12)5-11(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
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098517
PNG
(4-(3,4-Dimethyl-phenylsulfanyl)-thieno[2,3-c]pyrid...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)cc1C
Show InChI InChI=1S/C16H14N2OS2/c1-9-3-4-11(5-10(9)2)20-14-7-18-8-15-12(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098480
PNG
(4-(4-Bromo-phenylsulfanyl)-thieno[2,3-c]pyridine-2...)
Show SMILES NC(=O)c1cc2c(Sc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C14H9BrN2OS2/c15-8-1-3-9(4-2-8)19-12-6-17-7-13-10(12)5-11(20-13)14(16)18/h1-7H,(H2,16,18)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098506
PNG
(4-(4-Chloro-phenylsulfanyl)-thieno[2,3-c]pyridine-...)
Show SMILES NC(=O)c1cc2c(Sc3ccc(Cl)cc3)cncc2s1
Show InChI InChI=1S/C14H9ClN2OS2/c15-8-1-3-9(4-2-8)19-12-6-17-7-13-10(12)5-11(20-13)14(16)18/h1-7H,(H2,16,18)
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098517
PNG
(4-(3,4-Dimethyl-phenylsulfanyl)-thieno[2,3-c]pyrid...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)cc1C
Show InChI InChI=1S/C16H14N2OS2/c1-9-3-4-11(5-10(9)2)20-14-7-18-8-15-12(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098524
PNG
(4-Phenylsulfanyl-thieno[2,3-c]pyridine-2-carboxyli...)
Show SMILES NC(=O)c1cc2c(Sc3ccccc3)cncc2s1
Show InChI InChI=1S/C14H10N2OS2/c15-14(17)11-6-10-12(7-16-8-13(10)19-11)18-9-4-2-1-3-5-9/h1-8H,(H2,15,17)
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098512
PNG
(4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)cc1
Show InChI InChI=1S/C15H12N2OS2/c1-9-2-4-10(5-3-9)19-13-7-17-8-14-11(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098512
PNG
(4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)cc1
Show InChI InChI=1S/C15H12N2OS2/c1-9-2-4-10(5-3-9)19-13-7-17-8-14-11(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)
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n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098524
PNG
(4-Phenylsulfanyl-thieno[2,3-c]pyridine-2-carboxyli...)
Show SMILES NC(=O)c1cc2c(Sc3ccccc3)cncc2s1
Show InChI InChI=1S/C14H10N2OS2/c15-14(17)11-6-10-12(7-16-8-13(10)19-11)18-9-4-2-1-3-5-9/h1-8H,(H2,15,17)
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n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098476
PNG
(4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(=O)NN)cc1
Show InChI InChI=1S/C15H13N3OS2/c1-9-2-4-10(5-3-9)20-13-7-17-8-14-11(13)6-12(21-14)15(19)18-16/h2-8H,16H2,1H3,(H,18,19)
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n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098476
PNG
(4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(=O)NN)cc1
Show InChI InChI=1S/C15H13N3OS2/c1-9-2-4-10(5-3-9)20-13-7-17-8-14-11(13)6-12(21-14)15(19)18-16/h2-8H,16H2,1H3,(H,18,19)
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n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098502
PNG
(4-(3,4-Dichloro-phenylsulfanyl)-thieno[2,3-c]pyrid...)
Show SMILES NC(=O)c1cc2c(Sc3ccc(Cl)c(Cl)c3)cncc2s1
Show InChI InChI=1S/C14H8Cl2N2OS2/c15-9-2-1-7(3-10(9)16)20-12-5-18-6-13-8(12)4-11(21-13)14(17)19/h1-6H,(H2,17,19)
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n/an/a 37n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098490
PNG
(4-(4-Trifluoromethyl-phenylsulfanyl)-thieno[2,3-c]...)
Show SMILES NC(=O)c1cc2c(Sc3ccc(cc3)C(F)(F)F)cncc2s1
Show InChI InChI=1S/C15H9F3N2OS2/c16-15(17,18)8-1-3-9(4-2-8)22-12-6-20-7-13-10(12)5-11(23-13)14(19)21/h1-7H,(H2,19,21)
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n/an/a 39n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098513
PNG
(4-o-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES Cc1ccccc1Sc1cncc2sc(cc12)C(N)=O
Show InChI InChI=1S/C15H12N2OS2/c1-9-4-2-3-5-11(9)19-13-7-17-8-14-10(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098514
PNG
(4-(2,4-Dimethyl-phenylsulfanyl)-thieno[2,3-c]pyrid...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)c(C)c1
Show InChI InChI=1S/C16H14N2OS2/c1-9-3-4-12(10(2)5-9)20-14-7-18-8-15-11(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)
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n/an/a 43n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098490
PNG
(4-(4-Trifluoromethyl-phenylsulfanyl)-thieno[2,3-c]...)
Show SMILES NC(=O)c1cc2c(Sc3ccc(cc3)C(F)(F)F)cncc2s1
Show InChI InChI=1S/C15H9F3N2OS2/c16-15(17,18)8-1-3-9(4-2-8)22-12-6-20-7-13-10(12)5-11(23-13)14(19)21/h1-7H,(H2,19,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098515
PNG
(4-m-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES Cc1cccc(Sc2cncc3sc(cc23)C(N)=O)c1
Show InChI InChI=1S/C15H12N2OS2/c1-9-3-2-4-10(5-9)19-13-7-17-8-14-11(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098506
PNG
(4-(4-Chloro-phenylsulfanyl)-thieno[2,3-c]pyridine-...)
Show SMILES NC(=O)c1cc2c(Sc3ccc(Cl)cc3)cncc2s1
Show InChI InChI=1S/C14H9ClN2OS2/c15-8-1-3-9(4-2-8)19-12-6-17-7-13-10(12)5-11(20-13)14(16)18/h1-7H,(H2,16,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50029632
PNG
(3-Isopropoxy-5-methoxy-benzo[b]thiophene-2-carboxy...)
Show SMILES COc1ccc2sc(C(N)=O)c(OC(C)C)c2c1
Show InChI InChI=1S/C13H15NO3S/c1-7(2)17-11-9-6-8(16-3)4-5-10(9)18-12(11)13(14)15/h4-7H,1-3H3,(H2,14,15)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098514
PNG
(4-(2,4-Dimethyl-phenylsulfanyl)-thieno[2,3-c]pyrid...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)c(C)c1
Show InChI InChI=1S/C16H14N2OS2/c1-9-3-4-12(10(2)5-9)20-14-7-18-8-15-11(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098499
PNG
(1-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-et...)
Show SMILES CC(N=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1
Show InChI InChI=1S/C16H14N2OS2/c1-10-3-5-12(6-4-10)20-15-8-17-9-16-13(15)7-14(21-16)11(2)18-19/h3-9,11H,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098513
PNG
(4-o-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES Cc1ccccc1Sc1cncc2sc(cc12)C(N)=O
Show InChI InChI=1S/C15H12N2OS2/c1-9-4-2-3-5-11(9)19-13-7-17-8-14-10(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098486
PNG
(4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES CON(C)C(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1
Show InChI InChI=1S/C17H16N2O2S2/c1-11-4-6-12(7-5-11)22-15-9-18-10-16-13(15)8-14(23-16)17(20)19(2)21-3/h4-10H,1-3H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098499
PNG
(1-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-et...)
Show SMILES CC(N=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1
Show InChI InChI=1S/C16H14N2OS2/c1-10-3-5-12(6-4-10)20-15-8-17-9-16-13(15)7-14(21-16)11(2)18-19/h3-9,11H,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098487
PNG
(4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES CONC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1
Show InChI InChI=1S/C16H14N2O2S2/c1-10-3-5-11(6-4-10)21-14-8-17-9-15-12(14)7-13(22-15)16(19)18-20-2/h3-9H,1-2H3,(H,18,19)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098486
PNG
(4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES CON(C)C(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1
Show InChI InChI=1S/C17H16N2O2S2/c1-11-4-6-12(7-5-11)22-15-9-18-10-16-13(15)8-14(23-16)17(20)19(2)21-3/h4-10H,1-3H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098502
PNG
(4-(3,4-Dichloro-phenylsulfanyl)-thieno[2,3-c]pyrid...)
Show SMILES NC(=O)c1cc2c(Sc3ccc(Cl)c(Cl)c3)cncc2s1
Show InChI InChI=1S/C14H8Cl2N2OS2/c15-9-2-1-7(3-10(9)16)20-12-5-18-6-13-8(12)4-11(21-13)14(17)19/h1-6H,(H2,17,19)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
VCAM-1


(Homo sapiens (Human))
BDBM50098490
PNG
(4-(4-Trifluoromethyl-phenylsulfanyl)-thieno[2,3-c]...)
Show SMILES NC(=O)c1cc2c(Sc3ccc(cc3)C(F)(F)F)cncc2s1
Show InChI InChI=1S/C15H9F3N2OS2/c16-15(17,18)8-1-3-9(4-2-8)22-12-6-20-7-13-10(12)5-11(23-13)14(19)21/h1-7H,(H2,19,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of VCAM-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098482
PNG
(4-(4-Methoxy-phenylsulfanyl)-thieno[2,3-c]pyridine...)
Show SMILES COc1ccc(Sc2cncc3sc(cc23)C(N)=O)cc1
Show InChI InChI=1S/C15H12N2O2S2/c1-19-9-2-4-10(5-3-9)20-13-7-17-8-14-11(13)6-12(21-14)15(16)18/h2-8H,1H3,(H2,16,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098515
PNG
(4-m-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES Cc1cccc(Sc2cncc3sc(cc23)C(N)=O)c1
Show InChI InChI=1S/C15H12N2OS2/c1-9-3-2-4-10(5-9)19-13-7-17-8-14-11(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098505
PNG
(1-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-et...)
Show SMILES CC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1
Show InChI InChI=1S/C16H13NOS2/c1-10-3-5-12(6-4-10)19-15-8-17-9-16-13(15)7-14(20-16)11(2)18/h3-9H,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098482
PNG
(4-(4-Methoxy-phenylsulfanyl)-thieno[2,3-c]pyridine...)
Show SMILES COc1ccc(Sc2cncc3sc(cc23)C(N)=O)cc1
Show InChI InChI=1S/C15H12N2O2S2/c1-19-9-2-4-10(5-3-9)20-13-7-17-8-14-11(13)6-12(21-14)15(16)18/h2-8H,1H3,(H2,16,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50029632
PNG
(3-Isopropoxy-5-methoxy-benzo[b]thiophene-2-carboxy...)
Show SMILES COc1ccc2sc(C(N)=O)c(OC(C)C)c2c1
Show InChI InChI=1S/C13H15NO3S/c1-7(2)17-11-9-6-8(16-3)4-5-10(9)18-12(11)13(14)15/h4-7H,1-3H3,(H2,14,15)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098470
PNG
(4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carbothi...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(N)=S)cc1
Show InChI InChI=1S/C15H12N2S3/c1-9-2-4-10(5-3-9)19-13-7-17-8-14-11(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098470
PNG
(4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carbothi...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(N)=S)cc1
Show InChI InChI=1S/C15H12N2S3/c1-9-2-4-10(5-3-9)19-13-7-17-8-14-11(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098487
PNG
(4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES CONC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1
Show InChI InChI=1S/C16H14N2O2S2/c1-10-3-5-11(6-4-10)21-14-8-17-9-15-12(14)7-13(22-15)16(19)18-20-2/h3-9H,1-2H3,(H,18,19)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
VCAM-1


(Homo sapiens (Human))
BDBM50029632
PNG
(3-Isopropoxy-5-methoxy-benzo[b]thiophene-2-carboxy...)
Show SMILES COc1ccc2sc(C(N)=O)c(OC(C)C)c2c1
Show InChI InChI=1S/C13H15NO3S/c1-7(2)17-11-9-6-8(16-3)4-5-10(9)18-12(11)13(14)15/h4-7H,1-3H3,(H2,14,15)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of VCAM-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098507
PNG
(2-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-ylmeth...)
Show SMILES Cc1ccc(Sc2cncc3sc(\C=N\OCC(N)=O)cc23)cc1
Show InChI InChI=1S/C17H15N3O2S2/c1-11-2-4-12(5-3-11)23-15-8-19-9-16-14(15)6-13(24-16)7-20-22-10-17(18)21/h2-9H,10H2,1H3,(H2,18,21)/b20-7+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098472
PNG
((4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-meth...)
Show SMILES Cc1ccc(Sc2cncc3sc(CO)cc23)cc1
Show InChI InChI=1S/C15H13NOS2/c1-10-2-4-11(5-3-10)18-14-7-16-8-15-13(14)6-12(9-17)19-15/h2-8,17H,9H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
VCAM-1


(Homo sapiens (Human))
BDBM50098482
PNG
(4-(4-Methoxy-phenylsulfanyl)-thieno[2,3-c]pyridine...)
Show SMILES COc1ccc(Sc2cncc3sc(cc23)C(N)=O)cc1
Show InChI InChI=1S/C15H12N2O2S2/c1-19-9-2-4-10(5-3-9)20-13-7-17-8-14-11(13)6-12(21-14)15(16)18/h2-8H,1H3,(H2,16,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of VCAM-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098505
PNG
(1-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-et...)
Show SMILES CC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1
Show InChI InChI=1S/C16H13NOS2/c1-10-3-5-12(6-4-10)19-15-8-17-9-16-13(15)7-14(20-16)11(2)18/h3-9H,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098484
PNG
(4-Chloro-thieno[2,3-c]pyridine-2-carboxylic acid a...)
Show SMILES NC(=O)c1cc2c(Cl)cncc2s1
Show InChI InChI=1S/C8H5ClN2OS/c9-5-2-11-3-7-4(5)1-6(13-7)8(10)12/h1-3H,(H2,10,12)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098523
PNG
(4-(4-Chloro-benzylsulfanyl)-thieno[2,3-c]pyridine-...)
Show SMILES NC(=O)c1cc2c(SCc3ccc(Cl)cc3)cncc2s1
Show InChI InChI=1S/C15H11ClN2OS2/c16-10-3-1-9(2-4-10)8-20-13-6-18-7-14-11(13)5-12(21-14)15(17)19/h1-7H,8H2,(H2,17,19)
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n/an/a 340n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098484
PNG
(4-Chloro-thieno[2,3-c]pyridine-2-carboxylic acid a...)
Show SMILES NC(=O)c1cc2c(Cl)cncc2s1
Show InChI InChI=1S/C8H5ClN2OS/c9-5-2-11-3-7-4(5)1-6(13-7)8(10)12/h1-3H,(H2,10,12)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098498
PNG
(CHEMBL6371 | Phenyl-(4-p-tolylsulfanyl-thieno[2,3-...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C21H15NOS2/c1-14-7-9-16(10-8-14)24-19-12-22-13-20-17(19)11-18(25-20)21(23)15-5-3-2-4-6-15/h2-13H,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098472
PNG
((4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-meth...)
Show SMILES Cc1ccc(Sc2cncc3sc(CO)cc23)cc1
Show InChI InChI=1S/C15H13NOS2/c1-10-2-4-11(5-3-10)18-14-7-16-8-15-13(14)6-12(9-17)19-15/h2-8,17H,9H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098475
PNG
(4-(2-Methyl-furan-3-ylsulfanyl)-thieno[2,3-c]pyrid...)
Show SMILES Cc1occc1Sc1cncc2sc(cc12)C(N)=O
Show InChI InChI=1S/C13H10N2O2S2/c1-7-9(2-3-17-7)18-11-5-15-6-12-8(11)4-10(19-12)13(14)16/h2-6H,1H3,(H2,14,16)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098474
PNG
(4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(=O)NCC(O)CO)cc1
Show InChI InChI=1S/C18H18N2O3S2/c1-11-2-4-13(5-3-11)24-16-8-19-9-17-14(16)6-15(25-17)18(23)20-7-12(22)10-21/h2-6,8-9,12,21-22H,7,10H2,1H3,(H,20,23)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098475
PNG
(4-(2-Methyl-furan-3-ylsulfanyl)-thieno[2,3-c]pyrid...)
Show SMILES Cc1occc1Sc1cncc2sc(cc12)C(N)=O
Show InChI InChI=1S/C13H10N2O2S2/c1-7-9(2-3-17-7)18-11-5-15-6-12-8(11)4-10(19-12)13(14)16/h2-6H,1H3,(H2,14,16)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50098474
PNG
(4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(=O)NCC(O)CO)cc1
Show InChI InChI=1S/C18H18N2O3S2/c1-11-2-4-13(5-3-11)24-16-8-19-9-17-14(16)6-15(25-17)18(23)20-7-12(22)10-21/h2-6,8-9,12,21-22H,7,10H2,1H3,(H,20,23)
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n/an/a 620n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
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