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BDBM50247259 6-acetyl-5-(2,4-dimethoxyphenyl)-7-methyl-2-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)-2H-thiazolo[3,2-a]pyrimidin-3(5H)-one::CHEMBL515248::cid_3560261

SMILES: COc1ccc(C2C(C(C)=O)=C(C)N=c3sc(=Cc4cc(C)n(C)c4C)c(=O)n23)c(OC)c1

InChI Key: InChIKey=OASXKSSRDUUVRV-UHFFFAOYSA-N

Data: 3 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 5 hits for monomerid = 50247259   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50247259
PNG
(6-acetyl-5-(2,4-dimethoxyphenyl)-7-methyl-2-((1,2,...)
Show SMILES COc1ccc(C2C(C(C)=O)=C(C)N=c3sc(=Cc4cc(C)n(C)c4C)c(=O)n23)c(OC)c1 |w:17.17,t:10,13|
Show InChI InChI=1S/C25H27N3O4S/c1-13-10-17(15(3)27(13)5)11-21-24(30)28-23(19-9-8-18(31-6)12-20(19)32-7)22(16(4)29)14(2)26-25(28)33-21/h8-12,23H,1-7H3
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.15E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2JW8C95
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM50247259
PNG
(6-acetyl-5-(2,4-dimethoxyphenyl)-7-methyl-2-((1,2,...)
Show SMILES COc1ccc(C2C(C(C)=O)=C(C)N=c3sc(=Cc4cc(C)n(C)c4C)c(=O)n23)c(OC)c1 |w:17.17,t:10,13|
Show InChI InChI=1S/C25H27N3O4S/c1-13-10-17(15(3)27(13)5)11-21-24(30)28-23(19-9-8-18(31-6)12-20(19)32-7)22(16(4)29)14(2)26-25(28)33-21/h8-12,23H,1-7H3
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n/an/an/an/a 2.10E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50247259
PNG
(6-acetyl-5-(2,4-dimethoxyphenyl)-7-methyl-2-((1,2,...)
Show SMILES COc1ccc(C2C(C(C)=O)=C(C)N=c3sc(=Cc4cc(C)n(C)c4C)c(=O)n23)c(OC)c1 |w:17.17,t:10,13|
Show InChI InChI=1S/C25H27N3O4S/c1-13-10-17(15(3)27(13)5)11-21-24(30)28-23(19-9-8-18(31-6)12-20(19)32-7)22(16(4)29)14(2)26-25(28)33-21/h8-12,23H,1-7H3
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Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Florida Atlantic University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 expressed in Escherichia coli


Bioorg Med Chem 17: 990-1005 (2009)


Article DOI: 10.1016/j.bmc.2008.03.004
BindingDB Entry DOI: 10.7270/Q2GB24ZC
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM50247259
PNG
(6-acetyl-5-(2,4-dimethoxyphenyl)-7-methyl-2-((1,2,...)
Show SMILES COc1ccc(C2C(C(C)=O)=C(C)N=c3sc(=Cc4cc(C)n(C)c4C)c(=O)n23)c(OC)c1 |w:17.17,t:10,13|
Show InChI InChI=1S/C25H27N3O4S/c1-13-10-17(15(3)27(13)5)11-21-24(30)28-23(19-9-8-18(31-6)12-20(19)32-7)22(16(4)29)14(2)26-25(28)33-21/h8-12,23H,1-7H3
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n/an/an/an/a 1.09E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM50247259
PNG
(6-acetyl-5-(2,4-dimethoxyphenyl)-7-methyl-2-((1,2,...)
Show SMILES COc1ccc(C2C(C(C)=O)=C(C)N=c3sc(=Cc4cc(C)n(C)c4C)c(=O)n23)c(OC)c1 |w:17.17,t:10,13|
Show InChI InChI=1S/C25H27N3O4S/c1-13-10-17(15(3)27(13)5)11-21-24(30)28-23(19-9-8-18(31-6)12-20(19)32-7)22(16(4)29)14(2)26-25(28)33-21/h8-12,23H,1-7H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair