BDBM38550 3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE::5-methyl-2-phenyl-1,2- dihydro-3H-pyrazol-3-one (3)::5-methyl-2-phenyl-2-pyrazolin-3-one::5-methyl-2-phenyl-4H-pyrazol-3-one::MLS000069602::SMR000059020::cid_4021

SMILES: Cc1cc(=O)n([nH]1)-c1ccccc1

InChI Key: InChIKey=KZQYIMCESJLPQH-UHFFFAOYSA-N

Data: 6 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 8 hits for monomerid = 38550   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38550 (3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE | 5-methyl-2-p...) Show SMILES Cc1cc(=O)n([nH]1)-c1ccccc1 Show InChI InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q27P8WSS
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38550 (3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE | 5-methyl-2-p...) Show SMILES Cc1cc(=O)n([nH]1)-c1ccccc1 Show InChI InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q23X852V
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38550 (3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE | 5-methyl-2-p...) Show SMILES Cc1cc(=O)n([nH]1)-c1ccccc1 Show InChI InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM38550 (3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE | 5-methyl-2-p...) Show SMILES Cc1cc(=O)n([nH]1)-c1ccccc1 Show InChI InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM38550 (3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE | 5-methyl-2-p...) Show SMILES Cc1cc(=O)n([nH]1)-c1ccccc1 Show InChI InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2FN14NR
					More data for this Ligand-Target Pair
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM38550 (3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE | 5-methyl-2-p...) Show SMILES Cc1cc(=O)n([nH]1)-c1ccccc1 Show InChI InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2DR2SX9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM38550 (3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE | 5-methyl-2-p...) Show SMILES Cc1cc(=O)n([nH]1)-c1ccccc1 Show InChI InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM38550 (3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE | 5-methyl-2-p...) Show SMILES Cc1cc(=O)n([nH]1)-c1ccccc1 Show InChI InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>5.96E+4	n/a	n/a	n/a	n/a	n/a	n/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/Q2F769ZM
					More data for this Ligand-Target Pair