BDBM50105227 4-[4-(Tetrahydro-pyran-2-yloxymethyl)-phenoxy]-thieno[2,3-c]pyridine-2-carboxylic acid amide::CHEMBL118113

SMILES: NC(=O)c1cc2c(Oc3ccc(COC4CCCCO4)cc3)cncc2s1

InChI Key: InChIKey=KCKRKRQSCSVZSK-UHFFFAOYSA-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 = 50105227   

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
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (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 UniProtKB/TrEMBL 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
Selectin E (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
VCAM-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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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