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BDBM61896 2-(3,4-dihydroxyphenyl)-4-benzo[h][1]benzopyranone::2-(3,4-dihydroxyphenyl)benzo[h]chromen-4-one::2-[3,4-bis(oxidanyl)phenyl]benzo[h]chromen-4-one::3',4'-DIHYDROXY-a-NAPHTHOFLAVONE::MLS001360569::SMR001223866::cid_676291

SMILES: Oc1ccc(cc1O)-c1cc(=O)c2ccc3ccccc3c2o1

InChI Key: InChIKey=AHSWGZBFVRIGHJ-UHFFFAOYSA-N

Data: 4 IC50  2 EC50

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 = 61896   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM61896
PNG
(2-(3,4-dihydroxyphenyl)-4-benzo[h][1]benzopyranone...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H12O4/c20-15-8-6-12(9-17(15)22)18-10-16(21)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10,20,22H
PDB
MMDB

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PCBioAssay
n/an/a 2.38E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM61896
PNG
(2-(3,4-dihydroxyphenyl)-4-benzo[h][1]benzopyranone...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H12O4/c20-15-8-6-12(9-17(15)22)18-10-16(21)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10,20,22H
PDB
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n/an/a 1.09E+5n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
TCRAV4S1


(Homo sapiens (Human))
BDBM61896
PNG
(2-(3,4-dihydroxyphenyl)-4-benzo[h][1]benzopyranone...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H12O4/c20-15-8-6-12(9-17(15)22)18-10-16(21)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10,20,22H
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n/an/a 6.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2WQ02FK
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM61896
PNG
(2-(3,4-dihydroxyphenyl)-4-benzo[h][1]benzopyranone...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H12O4/c20-15-8-6-12(9-17(15)22)18-10-16(21)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10,20,22H
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Article
PCBioAssay
n/an/an/an/a>9.90E+4n/an/an/an/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)


Article DOI: 10.1021/acs.biochem.5b00221
BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM61896
PNG
(2-(3,4-dihydroxyphenyl)-4-benzo[h][1]benzopyranone...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H12O4/c20-15-8-6-12(9-17(15)22)18-10-16(21)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10,20,22H
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM61896
PNG
(2-(3,4-dihydroxyphenyl)-4-benzo[h][1]benzopyranone...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H12O4/c20-15-8-6-12(9-17(15)22)18-10-16(21)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10,20,22H
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

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Article
PCBioAssay
n/an/an/an/a>9.90E+4n/an/an/an/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)


Article DOI: 10.1021/acs.biochem.5b00244
BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair