BDBM50105162 4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide::CHEMBL116070

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

InChI Key: InChIKey=SPOBBSBKXJKGBG-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50105162   

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))	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 (ICAM-1), Integrin alpha-L/beta-2 (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 UniProtKB/TrEMBL 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
Selectin E (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
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (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 UniProtKB/TrEMBL 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
VCAM-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
VCAM-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	8	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 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
VCAM-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	48	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
VCAM-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	20	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 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
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (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 UniProtKB/TrEMBL 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
Selectin E (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
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (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 UniProtKB/TrEMBL 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