BDBM50105157 4-{4-[2-(2-Morpholin-4-yl-ethylcarbamoyl)-vinyl]-phenoxy}-thieno[2,3-c]pyridine-2-carboxylic acid amide::CHEMBL325651

SMILES: NC(=O)c1cc2c(Oc3ccc(\C=C\C(=O)NCCN4CCOCC4)cc3)cncc2s1

InChI Key: InChIKey=HKXYPZQSYGTMCA-ZZXKWVIFSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50105157   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Selectin E (Homo sapiens (Human))	BDBM50105157 (4-{4-[2-(2-Morpholin-4-yl-ethylcarbamoyl)-vinyl]-p...) Show SMILES NC(=O)c1cc2c(Oc3ccc(\C=C\C(=O)NCCN4CCOCC4)cc3)cncc2s1 Show InChI InChI=1S/C23H24N4O4S/c24-23(29)20-13-18-19(14-25-15-21(18)32-20)31-17-4-1-16(2-5-17)3-6-22(28)26-7-8-27-9-11-30-12-10-27/h1-6,13-15H,7-12H2,(H2,24,29)(H,26,28)/b6-3+	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	34	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 (ICAM-1), Integrin alpha-L/beta-2 (Homo sapiens (Human))	BDBM50105157 (4-{4-[2-(2-Morpholin-4-yl-ethylcarbamoyl)-vinyl]-p...) Show SMILES NC(=O)c1cc2c(Oc3ccc(\C=C\C(=O)NCCN4CCOCC4)cc3)cncc2s1 Show InChI InChI=1S/C23H24N4O4S/c24-23(29)20-13-18-19(14-25-15-21(18)32-20)31-17-4-1-16(2-5-17)3-6-22(28)26-7-8-27-9-11-30-12-10-27/h1-6,13-15H,7-12H2,(H2,24,29)(H,26,28)/b6-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 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
VCAM-1 (Homo sapiens (Human))	BDBM50105157 (4-{4-[2-(2-Morpholin-4-yl-ethylcarbamoyl)-vinyl]-p...) Show SMILES NC(=O)c1cc2c(Oc3ccc(\C=C\C(=O)NCCN4CCOCC4)cc3)cncc2s1 Show InChI InChI=1S/C23H24N4O4S/c24-23(29)20-13-18-19(14-25-15-21(18)32-20)31-17-4-1-16(2-5-17)3-6-22(28)26-7-8-27-9-11-30-12-10-27/h1-6,13-15H,7-12H2,(H2,24,29)(H,26,28)/b6-3+	PDB 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 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