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BDBM50247464 6-amino-1-(3-bromo-2-chloro-4-hydroxy-5-methoxyphenyl)-3-methyl-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile::CHEMBL517444::cid_2947766

SMILES: COc1cc(c(Cl)c(Br)c1O)-n1nc(C)c2C(C(C#N)C(=N)Oc12)c1ccccc1

InChI Key: InChIKey=ZAGGUJPGHQAIGW-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 = 50247464   
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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50247464
PNG
(6-amino-1-(3-bromo-2-chloro-4-hydroxy-5-methoxyphe...)
Show SMILES COc1cc(c(Cl)c(Br)c1O)-n1nc(C)c2C(C(C#N)C(=N)Oc12)c1ccccc1
Show InChI InChI=1S/C21H16BrClN4O3/c1-10-15-16(11-6-4-3-5-7-11)12(9-24)20(25)30-21(15)27(26-10)13-8-14(29-2)19(28)17(22)18(13)23/h3-8,12,16,25,28H,1-2H3
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PCBioAssay
2.13E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50247464
PNG
(6-amino-1-(3-bromo-2-chloro-4-hydroxy-5-methoxyphe...)
Show SMILES COc1cc(c(Cl)c(Br)c1O)-n1nc(C)c2C(C(C#N)C(=N)Oc12)c1ccccc1
Show InChI InChI=1S/C21H16BrClN4O3/c1-10-15-16(11-6-4-3-5-7-11)12(9-24)20(25)30-21(15)27(26-10)13-8-14(29-2)19(28)17(22)18(13)23/h3-8,12,16,25,28H,1-2H3
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>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50247464
PNG
(6-amino-1-(3-bromo-2-chloro-4-hydroxy-5-methoxyphe...)
Show SMILES COc1cc(c(Cl)c(Br)c1O)-n1nc(C)c2C(C(C#N)C(=N)Oc12)c1ccccc1
Show InChI InChI=1S/C21H16BrClN4O3/c1-10-15-16(11-6-4-3-5-7-11)12(9-24)20(25)30-21(15)27(26-10)13-8-14(29-2)19(28)17(22)18(13)23/h3-8,12,16,25,28H,1-2H3
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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
Collagenase 3


(Homo sapiens (Human))
BDBM50247464
PNG
(6-amino-1-(3-bromo-2-chloro-4-hydroxy-5-methoxyphe...)
Show SMILES COc1cc(c(Cl)c(Br)c1O)-n1nc(C)c2C(C(C#N)C(=N)Oc12)c1ccccc1
Show InChI InChI=1S/C21H16BrClN4O3/c1-10-15-16(11-6-4-3-5-7-11)12(9-24)20(25)30-21(15)27(26-10)13-8-14(29-2)19(28)17(22)18(13)23/h3-8,12,16,25,28H,1-2H3
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n/an/a>3.98E+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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50247464
PNG
(6-amino-1-(3-bromo-2-chloro-4-hydroxy-5-methoxyphe...)
Show SMILES COc1cc(c(Cl)c(Br)c1O)-n1nc(C)c2C(C(C#N)C(=N)Oc12)c1ccccc1
Show InChI InChI=1S/C21H16BrClN4O3/c1-10-15-16(11-6-4-3-5-7-11)12(9-24)20(25)30-21(15)27(26-10)13-8-14(29-2)19(28)17(22)18(13)23/h3-8,12,16,25,28H,1-2H3
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n/an/a 3.25E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50247464
PNG
(6-amino-1-(3-bromo-2-chloro-4-hydroxy-5-methoxyphe...)
Show SMILES COc1cc(c(Cl)c(Br)c1O)-n1nc(C)c2C(C(C#N)C(=N)Oc12)c1ccccc1
Show InChI InChI=1S/C21H16BrClN4O3/c1-10-15-16(11-6-4-3-5-7-11)12(9-24)20(25)30-21(15)27(26-10)13-8-14(29-2)19(28)17(22)18(13)23/h3-8,12,16,25,28H,1-2H3
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n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair