BindingDB logo
myBDB logout

BDBM32909 (4-methyl-2-oxidanylidene-chromen-7-yl) furan-2-carboxylate::(4-methyl-2-oxochromen-7-yl) furan-2-carboxylate::2-furancarboxylic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester::MLS000712758::SMR000282525::cid_728528::furan-2-carboxylic acid (2-keto-4-methyl-chromen-7-yl) ester

SMILES: Cc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12

InChI Key: InChIKey=WVAYNWNBGPUATF-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 = 32909   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Prothrombin


(Homo sapiens (Human))
BDBM32909
PNG
((4-methyl-2-oxidanylidene-chromen-7-yl) furan-2-ca...)
Show SMILES Cc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12
Show InChI InChI=1S/C15H10O5/c1-9-7-14(16)20-13-8-10(4-5-11(9)13)19-15(17)12-3-2-6-18-12/h2-8H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 949n/an/an/an/a7.523



PCMD

Curated by PubChem BioAssay


Assay Description
HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K64GDN
More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM32909
PNG
((4-methyl-2-oxidanylidene-chromen-7-yl) furan-2-ca...)
Show SMILES Cc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12
Show InChI InChI=1S/C15H10O5/c1-9-7-14(16)20-13-8-10(4-5-11(9)13)19-15(17)12-3-2-6-18-12/h2-8H,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.34E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29K48NM
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM32909
PNG
((4-methyl-2-oxidanylidene-chromen-7-yl) furan-2-ca...)
Show SMILES Cc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12
Show InChI InChI=1S/C15H10O5/c1-9-7-14(16)20-13-8-10(4-5-11(9)13)19-15(17)12-3-2-6-18-12/h2-8H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM32909
PNG
((4-methyl-2-oxidanylidene-chromen-7-yl) furan-2-ca...)
Show SMILES Cc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12
Show InChI InChI=1S/C15H10O5/c1-9-7-14(16)20-13-8-10(4-5-11(9)13)19-15(17)12-3-2-6-18-12/h2-8H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 49.7n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair