Compile Data Set for Download or QSAR

Found 291 hits Enz. Inhib. hit(s) with all data for entry = 50011317   

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))	BDBM50105186 (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)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105186 (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)	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	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105151 (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)	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	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105227 (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)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105227 (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)	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	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105156 (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)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
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 1 (Homo sapiens (Human))	BDBM50105151 (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)	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	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105201 (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)	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	2	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105215 (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)	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	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105155 (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)	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	2.80	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105215 (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)	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	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105162 (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)	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	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105162 (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)	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	n/a	n/a	n/a	n/a	n/a	n/a
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 1 (Homo sapiens (Human))	BDBM50105155 (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)	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	3.80	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105195 (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)	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	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105156 (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)	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	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105195 (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)	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	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105178 (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)	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	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105162 (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)	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	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105162 (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)	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	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105196 (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)	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	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105156 (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)	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	5	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105180 (4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1 Show InChI InChI=1S/C15H11BrN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem 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 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
E-selectin (Homo sapiens (Human))	BDBM50105164 (4-(4-Thiophen-2-yl-phenoxy)-thieno[2,3-c]pyridine-...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-c3cccs3)cncc2s1 Show InChI InChI=1S/C19H14N2O2S2/c1-20-19(22)17-9-14-15(10-21-11-18(14)25-17)23-13-6-4-12(5-7-13)16-3-2-8-24-16/h2-11H,1H3,(H,20,22)	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 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 1 (Homo sapiens (Human))	BDBM50105156 (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)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory potency compared to PMA 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
E-selectin (Homo sapiens (Human))	BDBM50105183 (4-(4-Furan-2-yl-phenoxy)-thieno[2,3-c]pyridine-2-c...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-c3ccco3)cncc2s1 Show InChI InChI=1S/C19H14N2O3S/c1-20-19(22)17-9-14-16(10-21-11-18(14)25-17)24-13-6-4-12(5-7-13)15-3-2-8-23-15/h2-11H,1H3,(H,20,22)	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	5	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105162 (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)	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 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
E-selectin (Homo sapiens (Human))	BDBM50105156 (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)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory potency compared to IL-1beta 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
E-selectin (Homo sapiens (Human))	BDBM50105172 (4-[4-(2-Methoxy-ethoxymethyl)-phenoxy]-thieno[2,3-...) Show SMILES COCCOCc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C18H18N2O4S/c1-22-6-7-23-11-12-2-4-13(5-3-12)24-15-9-20-10-17-14(15)8-16(25-17)18(19)21/h2-5,8-10H,6-7,11H2,1H3,(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	5	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105183 (4-(4-Furan-2-yl-phenoxy)-thieno[2,3-c]pyridine-2-c...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-c3ccco3)cncc2s1 Show InChI InChI=1S/C19H14N2O3S/c1-20-19(22)17-9-14-16(10-21-11-18(14)25-17)24-13-6-4-12(5-7-13)15-3-2-8-23-15/h2-11H,1H3,(H,20,22)	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	5	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105196 (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)	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 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 1 (Homo sapiens (Human))	BDBM50105205 (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)	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 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 1 (Homo sapiens (Human))	BDBM50105156 (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)	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	5	n/a	n/a	n/a	n/a	n/a	n/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
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105195 (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)	PDB 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 Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50105181 (4-(4-Chloro-phenoxy)-thieno[2,3-c]pyridine-2-carbo...) Show SMILES NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Show InChI InChI=1S/C14H9ClN2O2S/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)	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	6	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105178 (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)	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	6	n/a	n/a	n/a	n/a	n/a	n/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
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105164 (4-(4-Thiophen-2-yl-phenoxy)-thieno[2,3-c]pyridine-...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-c3cccs3)cncc2s1 Show InChI InChI=1S/C19H14N2O2S2/c1-20-19(22)17-9-14-15(10-21-11-18(14)25-17)23-13-6-4-12(5-7-13)16-3-2-8-24-16/h2-11H,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 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 1 (Homo sapiens (Human))	BDBM50105162 (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)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory potency compared to PMA 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
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105151 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 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 1 (Homo sapiens (Human))	BDBM50105164 (4-(4-Thiophen-2-yl-phenoxy)-thieno[2,3-c]pyridine-...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-c3cccs3)cncc2s1 Show InChI InChI=1S/C19H14N2O2S2/c1-20-19(22)17-9-14-15(10-21-11-18(14)25-17)23-13-6-4-12(5-7-13)16-3-2-8-24-16/h2-11H,1H3,(H,20,22)	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	6	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105201 (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)	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	6	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105205 (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)	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	6	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105156 (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)	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	6	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105172 (4-[4-(2-Methoxy-ethoxymethyl)-phenoxy]-thieno[2,3-...) Show SMILES COCCOCc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C18H18N2O4S/c1-22-6-7-23-11-12-2-4-13(5-3-12)24-15-9-20-10-17-14(15)8-16(25-17)18(19)21/h2-5,8-10H,6-7,11H2,1H3,(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	6	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105162 (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)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory potency compared to IL-1beta 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
E-selectin (Homo sapiens (Human))	BDBM50105207 (4-[4-(2-Methoxy-ethoxymethyl)-phenoxy]-thieno[2,3-...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(COCCOC)cc3)cncc2s1 Show InChI InChI=1S/C19H20N2O4S/c1-20-19(22)17-9-15-16(10-21-11-18(15)26-17)25-14-5-3-13(4-6-14)12-24-8-7-23-2/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,22)	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	7	n/a	n/a	n/a	n/a	n/a	n/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
E-selectin (Homo sapiens (Human))	BDBM50105180 (4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1 Show InChI InChI=1S/C15H11BrN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/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
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105162 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory potency compared to IL-1beta induced VCAM-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
E-selectin (Homo sapiens (Human))	BDBM50105159 (4-(4-Chloro-phenoxy)-thieno[2,3-c]pyridine-2-carbo...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Show InChI InChI=1S/C15H11ClN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)	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	8	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50105207 (4-[4-(2-Methoxy-ethoxymethyl)-phenoxy]-thieno[2,3-...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(COCCOC)cc3)cncc2s1 Show InChI InChI=1S/C19H20N2O4S/c1-20-19(22)17-9-15-16(10-21-11-18(15)26-17)25-14-5-3-13(4-6-14)12-24-8-7-23-2/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,22)	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	8	n/a	n/a	n/a	n/a	n/a	n/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

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