Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50010765   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
E-selectin (Homo sapiens (Human))	BDBM50098480 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098506 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098517 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098524 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098512 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098476 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098514 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098490 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098515 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50029632 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098513 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098499 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098486 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098487 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098502 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098482 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098505 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098470 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098507 (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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098472 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098484 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098523 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098498 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098475 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098474 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098492 (4-(Pyridin-2-ylsulfanyl)-thieno[2,3-c]pyridine-2-c...) Show SMILES NC(=O)c1cc2c(Sc3ccccn3)cncc2s1 Show InChI InChI=1S/C13H9N3OS2/c14-13(17)9-5-8-10(18-9)6-15-7-11(8)19-12-3-1-2-4-16-12/h1-7H,(H2,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098479 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carbalde...) Show SMILES Cc1ccc(Sc2cncc3sc(C=O)cc23)cc1 Show InChI InChI=1S/C15H11NOS2/c1-10-2-4-11(5-3-10)18-14-7-16-8-15-13(14)6-12(9-17)19-15/h2-9H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098510 (4-(Biphenyl-4-ylsulfanyl)-thieno[2,3-c]pyridine-2-...) Show SMILES NC(=O)c1cc2c(Sc3ccc(cc3)-c3ccccc3)cncc2s1 Show InChI InChI=1S/C20H14N2OS2/c21-20(23)17-10-16-18(11-22-12-19(16)25-17)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098522 (4-Cyclohexylsulfanyl-thieno[2,3-c]pyridine-2-carbo...) Show SMILES NC(=O)c1cc2c(SC3CCCCC3)cncc2s1 Show InChI InChI=1S/C14H16N2OS2/c15-14(17)11-6-10-12(7-16-8-13(10)19-11)18-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098504 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carbalde...) Show SMILES Cc1ccc(Sc2cncc3sc(CN=O)cc23)cc1 Show InChI InChI=1S/C15H12N2OS2/c1-10-2-4-11(5-3-10)19-14-8-16-9-15-13(14)6-12(20-15)7-17-18/h2-6,8-9H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098518 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridine | CHEMBL26...) Show SMILES Cc1ccc(Sc2cncc3sccc23)cc1 Show InChI InChI=1S/C14H11NS2/c1-10-2-4-11(5-3-10)17-14-9-15-8-13-12(14)6-7-16-13/h2-9H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098508 (2-Ethyl-4-p-tolylsulfanyl-thieno[2,3-c]pyridine | ...) Show SMILES CCc1cc2c(Sc3ccc(C)cc3)cncc2s1 Show InChI InChI=1S/C16H15NS2/c1-3-12-8-14-15(18-12)9-17-10-16(14)19-13-6-4-11(2)5-7-13/h4-10H,3H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098483 (6-Ethyl-4-(pyridin-2-ylsulfanyl)-thieno[2,3-d]pyri...) Show SMILES CCc1cc2c(Sc3ccccn3)ncnc2s1 Show InChI InChI=1S/C13H11N3S2/c1-2-9-7-10-12(17-9)15-8-16-13(10)18-11-5-3-4-6-14-11/h3-8H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098485 (5-(6-Ethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-[1...) Show SMILES CCc1cc2c(Sc3nnc(N)s3)ncnc2s1 Show InChI InChI=1S/C10H9N5S3/c1-2-5-3-6-7(16-5)12-4-13-8(6)17-10-15-14-9(11)18-10/h3-4H,2H2,1H3,(H2,11,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098488 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...) Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(O)=O)cc1 Show InChI InChI=1S/C15H11NO2S2/c1-9-2-4-10(5-3-9)19-13-7-16-8-14-11(13)6-12(20-14)15(17)18/h2-8H,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098503 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carbalde...) Show SMILES Cc1ccc(Sc2cncc3sc(\C=N\Oc4ccccc4)cc23)cc1 Show InChI InChI=1S/C21H16N2OS2/c1-15-7-9-17(10-8-15)25-20-13-22-14-21-19(20)11-18(26-21)12-23-24-16-5-3-2-4-6-16/h2-14H,1H3/b23-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098509 ((4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-ylmethyl...) Show SMILES Cc1ccc(Sc2cncc3sc(\C=N\OCC(O)=O)cc23)cc1 Show InChI InChI=1S/C17H14N2O3S2/c1-11-2-4-12(5-3-11)23-15-8-18-9-16-14(15)6-13(24-16)7-19-22-10-17(20)21/h2-9H,10H2,1H3,(H,20,21)/b19-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098471 (6-Ethyl-4-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl...) Show SMILES CCc1cc2c(Sc3nnc(C)s3)ncnc2s1 Show InChI InChI=1S/C11H10N4S3/c1-3-7-4-8-9(17-7)12-5-13-10(8)18-11-15-14-6(2)16-11/h4-5H,3H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098511 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carbalde...) Show SMILES Cc1ccc(Sc2cncc3sc(\C=N\OCc4ccccc4)cc23)cc1 Show InChI InChI=1S/C22H18N2OS2/c1-16-7-9-18(10-8-16)26-21-13-23-14-22-20(21)11-19(27-22)12-24-25-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3/b24-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098481 (CHEMBL266460 | N-(4-p-Tolylsulfanyl-thieno[2,3-c]p...) Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(=O)NC(N)=N)cc1 Show InChI InChI=1S/C16H14N4OS2/c1-9-2-4-10(5-3-9)22-13-7-19-8-14-11(13)6-12(23-14)15(21)20-16(17)18/h2-8H,1H3,(H4,17,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098516 (4-(3,5-Dimethyl-phenylsulfanyl)-thieno[2,3-c]pyrid...) Show SMILES Cc1cc(C)cc(Sc2cncc3sc(cc23)C(N)=O)c1 Show InChI InChI=1S/C16H14N2OS2/c1-9-3-10(2)5-11(4-9)20-14-7-18-8-15-12(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098493 (4-(Toluene-4-sulfinyl)-thieno[2,3-c]pyridine-2-car...) Show SMILES Cc1ccc(cc1)S(=O)c1cncc2sc(cc12)C(N)=O Show InChI InChI=1S/C15H12N2O2S2/c1-9-2-4-10(5-3-9)21(19)14-8-17-7-13-11(14)6-12(20-13)15(16)18/h2-8H,1H3,(H2,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098494 (4-p-Tolylsulfanyl-thieno[3,2-c]pyridine-2-carboxyl...) Show SMILES Cc1ccc(Sc2nccc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C15H12N2OS2/c1-9-2-4-10(5-3-9)19-15-11-8-13(14(16)18)20-12(11)6-7-17-15/h2-8H,1H3,(H2,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098500 (CHEMBL268667 | Thiocarbamic acid S-(2-carbamoyl-th...) Show SMILES NC(=O)Sc1cncc2sc(cc12)C(N)=O Show InChI InChI=1S/C9H7N3O2S2/c10-8(13)5-1-4-6(15-5)2-12-3-7(4)16-9(11)14/h1-3H,(H2,10,13)(H2,11,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098501 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...) Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(=O)NCCCN2CCOCC2)cc1 Show InChI InChI=1S/C22H25N3O2S2/c1-16-3-5-17(6-4-16)28-20-14-23-15-21-18(20)13-19(29-21)22(26)24-7-2-8-25-9-11-27-12-10-25/h3-6,13-15H,2,7-12H2,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098496 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...) Show SMILES COC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 Show InChI InChI=1S/C16H13NO2S2/c1-10-3-5-11(6-4-10)20-14-8-17-9-15-12(14)7-13(21-15)16(18)19-2/h3-9H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098491 (4-(5-Methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-thieno...) Show SMILES Cc1nnc(Sc2cncc3sc(cc23)C(N)=O)s1 Show InChI InChI=1S/C11H8N4OS3/c1-5-14-15-11(17-5)19-9-4-13-3-8-6(9)2-7(18-8)10(12)16/h2-4H,1H3,(H2,12,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098521 (4-p-Tolylsulfanyl-thieno[2,3-b]pyridine-2-carboxyl...) Show SMILES Cc1ccc(Sc2ccnc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C15H12N2OS2/c1-9-2-4-10(5-3-9)19-12-6-7-17-15-11(12)8-13(20-15)14(16)18/h2-8H,1H3,(H2,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098520 (4-p-Tolylsulfanyl-benzo[b]thiophene-2-carboxylic a...) Show SMILES Cc1ccc(Sc2cccc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C16H13NOS2/c1-10-5-7-11(8-6-10)19-13-3-2-4-14-12(13)9-15(20-14)16(17)18/h2-9H,1H3,(H2,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50098478 (6-Ethyl-4-p-tolylsulfanyl-thieno[2,3-d]pyrimidine ...) Show SMILES CCc1cc2c(Sc3ccc(C)cc3)ncnc2s1 Show InChI InChI=1S/C15H14N2S2/c1-3-11-8-13-14(18-11)16-9-17-15(13)19-12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/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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