BDBM239 (4-methoxy-1,3-benzothiazol-2-yl)-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]amine::AB00418243-04::AC1MMF69::F0646-1305::MLS-0049708.0001::MLS-0049708.0002::MLS000045460::MolPort-003-038-736::N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine::SMR000027219::UNM000002567502::ZINC04110653::cid_3237799::potassium chloride

SMILES: COc1cccc2sc(Nc3nnc(o3)-c3cccs3)nc12

InChI Key: InChIKey=XHTBEVQYIUETPR-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

PDB links: 620 PDB IDs match this monomer.

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 2 hits for monomerid = 239   

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
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM239 ((4-methoxy-1,3-benzothiazol-2-yl)-[5-(2-thienyl)-1...) Show SMILES COc1cccc2sc(Nc3nnc(o3)-c3cccs3)nc12 Show InChI InChI=1S/C14H10N4O2S2/c1-19-8-4-2-5-9-11(8)15-14(22-9)16-13-18-17-12(20-13)10-6-3-7-21-10/h2-7H,1H3,(H,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2028Q2X
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM239 ((4-methoxy-1,3-benzothiazol-2-yl)-[5-(2-thienyl)-1...) Show SMILES COc1cccc2sc(Nc3nnc(o3)-c3cccs3)nc12 Show InChI InChI=1S/C14H10N4O2S2/c1-19-8-4-2-5-9-11(8)15-14(22-9)16-13-18-17-12(20-13)10-6-3-7-21-10/h2-7H,1H3,(H,15,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.27E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H130FK
					More data for this Ligand-Target Pair