null

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

InChI Key: InChIKey=KBOWMMZYYRZQQU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50105222   

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 1 (Homo sapiens (Human))	BDBM50105222 (4-(4-Trifluoromethyl-phenoxy)-thieno[2,3-c]pyridin...) Show SMILES NC(=O)c1cc2c(Oc3ccc(cc3)C(F)(F)F)cncc2s1 Show InChI InChI=1S/C15H9F3N2O2S/c16-15(17,18)8-1-3-9(4-2-8)22-11-6-20-7-13-10(11)5-12(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	13	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
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105222 (4-(4-Trifluoromethyl-phenoxy)-thieno[2,3-c]pyridin...) Show SMILES NC(=O)c1cc2c(Oc3ccc(cc3)C(F)(F)F)cncc2s1 Show InChI InChI=1S/C15H9F3N2O2S/c16-15(17,18)8-1-3-9(4-2-8)22-11-6-20-7-13-10(11)5-12(23-13)14(19)21/h1-7H,(H2,19,21)	PDB 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 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))	BDBM50105222 (4-(4-Trifluoromethyl-phenoxy)-thieno[2,3-c]pyridin...) Show SMILES NC(=O)c1cc2c(Oc3ccc(cc3)C(F)(F)F)cncc2s1 Show InChI InChI=1S/C15H9F3N2O2S/c16-15(17,18)8-1-3-9(4-2-8)22-11-6-20-7-13-10(11)5-12(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	19	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