BDBM50131078 3-formylchromones::4-Oxo-4H-chromene-3-carbaldehyde::CHEMBL86905

SMILES: O=Cc1coc2ccccc2c1=O

InChI Key: InChIKey=FSMYWBQIMDSGQP-UHFFFAOYSA-N

Data: 2 KI  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 6 hits for monomerid = 50131078   

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
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM50131078 (3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...) Show SMILES O=Cc1coc2ccccc2c1=O Show InChI InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Time-dependent inhibition of wild type Klebsiella pneumoniae 6xHis-tagged metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21 (DE3)pLysS				Bioorg Med Chem 24: 2947-2953 (2016) BindingDB Entry DOI: 10.7270/Q2XS5X91
					More data for this Ligand-Target Pair
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM50131078 (3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...) Show SMILES O=Cc1coc2ccccc2c1=O Show InChI InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Time-dependent inhibition of wild type Klebsiella pneumoniae 6xHis-tagged metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21 (DE3)pLysS ...				Bioorg Med Chem 24: 2947-2953 (2016) BindingDB Entry DOI: 10.7270/Q2XS5X91
					More data for this Ligand-Target Pair
Thymidine Phosphorylase (TP) (Escherichia coli)	BDBM50131078 (3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...) Show SMILES O=Cc1coc2ccccc2c1=O Show InChI InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Escherichia coli thymidine phosphorylase				Bioorg Med Chem 17: 2983-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.020 BindingDB Entry DOI: 10.7270/Q2GX4FC3
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50131078 (3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...) Show SMILES O=Cc1coc2ccccc2c1=O Show InChI InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B assessed as inhibition of kynuramine to 4-hydroxyquinoline conversion after 20 mins by fluorometry				Bioorg Med Chem Lett 22: 5480-4 (2012) Article DOI: 10.1016/j.bmcl.2012.07.025 BindingDB Entry DOI: 10.7270/Q2R212F5
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50131078 (3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...) Show SMILES O=Cc1coc2ccccc2c1=O Show InChI InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A assessed as inhibition of kynuramine to 4-hydroxyquinoline conversion after 20 mins by fluorometry				Bioorg Med Chem Lett 22: 5480-4 (2012) Article DOI: 10.1016/j.bmcl.2012.07.025 BindingDB Entry DOI: 10.7270/Q2R212F5
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50131078 (3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...) Show SMILES O=Cc1coc2ccccc2c1=O Show InChI InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of human Protein-tyrosine phosphatase 1B				Bioorg Med Chem Lett 13: 2561-3 (2003) BindingDB Entry DOI: 10.7270/Q2ZW1K9Q
					More data for this Ligand-Target Pair