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BDBM21629 3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one::Indeno[1,2-c]pyridazin-5-one::cid_2767330

SMILES: Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1

InChI Key: InChIKey=ITHVHASAWMAMQC-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 21629   
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
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM21629
PNG
(3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one...)
Show SMILES Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Show InChI InChI=1S/C18H12N2O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3
PDB
MMDB

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n/an/a 3.80E+3n/an/an/an/a7.222



AstraZeneca



Assay Description
The PGDS glutathione-S-transferase (GST) activity was measured by using MonoChloroBimane (MCB) as a chromogenic substrate. The assay was run at 384-w...


J Med Chem 51: 2178-86 (2008)


Article DOI: 10.1021/jm701509k
BindingDB Entry DOI: 10.7270/Q2Z036FR
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM21629
PNG
(3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one...)
Show SMILES Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Show InChI InChI=1S/C18H12N2O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3
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n/an/a 1.30E+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)


Article DOI: 10.1021/cc060110n
BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM21629
PNG
(3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one...)
Show SMILES Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Show InChI InChI=1S/C18H12N2O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3
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n/an/a 2.36E+3n/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)


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM21629
PNG
(3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one...)
Show SMILES Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Show InChI InChI=1S/C18H12N2O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3
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n/an/a 2.62E+3n/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)


Article DOI: 10.1021/cc9001026
BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM21629
PNG
(3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one...)
Show SMILES Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Show InChI InChI=1S/C18H12N2O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3
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n/an/a>1.00E+4n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM21629
PNG
(3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one...)
Show SMILES Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Show InChI InChI=1S/C18H12N2O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3
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n/an/a>1.00E+4n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM21629
PNG
(3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one...)
Show SMILES Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Show InChI InChI=1S/C18H12N2O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3
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n/an/a 1.82E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM21629
PNG
(3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one...)
Show SMILES Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Show InChI InChI=1S/C18H12N2O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3
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n/an/a 2.89E+3n/an/an/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 (2010)


Article DOI: 10.1111/cbdd.12319
BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM21629
PNG
(3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one...)
Show SMILES Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Show InChI InChI=1S/C18H12N2O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3
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n/an/a 1.00E+4n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM21629
PNG
(3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one...)
Show SMILES Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Show InChI InChI=1S/C18H12N2O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3
PDB
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n/an/a 1.57E+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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair