BDBM50105206 4-(4-Acetylamino-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide::CHEMBL434222

SMILES: CC(=O)Nc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1

InChI Key: InChIKey=HTOZHWWXFWCYGA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50105206   

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
VCAM-1 (Homo sapiens (Human))	BDBM50105206 (4-(4-Acetylamino-phenoxy)-thieno[2,3-c]pyridine-2-...) Show SMILES CC(=O)Nc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C16H13N3O3S/c1-9(20)19-10-2-4-11(5-3-10)22-13-7-18-8-15-12(13)6-14(23-15)16(17)21/h2-8H,1H3,(H2,17,21)(H,19,20)	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
Cyclin-C (Homo sapiens (Human))	BDBM50105206 (4-(4-Acetylamino-phenoxy)-thieno[2,3-c]pyridine-2-...) Show SMILES CC(=O)Nc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C16H13N3O3S/c1-9(20)19-10-2-4-11(5-3-10)22-13-7-18-8-15-12(13)6-14(23-15)16(17)21/h2-8H,1H3,(H2,17,21)(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (Homo sapiens (Human))	BDBM50105206 (4-(4-Acetylamino-phenoxy)-thieno[2,3-c]pyridine-2-...) Show SMILES CC(=O)Nc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C16H13N3O3S/c1-9(20)19-10-2-4-11(5-3-10)22-13-7-18-8-15-12(13)6-14(23-15)16(17)21/h2-8H,1H3,(H2,17,21)(H,19,20)	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	150	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))	BDBM50105206 (4-(4-Acetylamino-phenoxy)-thieno[2,3-c]pyridine-2-...) Show SMILES CC(=O)Nc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C16H13N3O3S/c1-9(20)19-10-2-4-11(5-3-10)22-13-7-18-8-15-12(13)6-14(23-15)16(17)21/h2-8H,1H3,(H2,17,21)(H,19,20)	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	380	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