BindingDB logo
myBDB logout

BDBM59701 3-(3,4-dichlorophenyl)-1H-pyrazol-5-ol::5-(3,4-dichlorophenyl)-1,2-dihydropyrazol-3-one::5-(3,4-dichlorophenyl)-3-pyrazolin-3-one::CHEMBL566068::MLS000066902::SMR000078902::cid_598633

SMILES: Clc1ccc(cc1Cl)-c1cc(=O)[nH][nH]1

InChI Key: InChIKey=ANMVQJHGOQOZLG-UHFFFAOYSA-N

Data: 4 IC50  3 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 7 hits for monomerid = 59701   
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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM59701
PNG
(3-(3,4-dichlorophenyl)-1H-pyrazol-5-ol | 5-(3,4-di...)
Show SMILES Clc1ccc(cc1Cl)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H6Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-9(14)13-12-8/h1-4H,(H2,12,13,14)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.00E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59701
PNG
(3-(3,4-dichlorophenyl)-1H-pyrazol-5-ol | 5-(3,4-di...)
Show SMILES Clc1ccc(cc1Cl)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H6Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-9(14)13-12-8/h1-4H,(H2,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+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/Q2NZ8631
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM59701
PNG
(3-(3,4-dichlorophenyl)-1H-pyrazol-5-ol | 5-(3,4-di...)
Show SMILES Clc1ccc(cc1Cl)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H6Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-9(14)13-12-8/h1-4H,(H2,12,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.59E+3n/an/an/an/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
Cruzipain


(Trypanosoma cruzi)
BDBM59701
PNG
(3-(3,4-dichlorophenyl)-1H-pyrazol-5-ol | 5-(3,4-di...)
Show SMILES Clc1ccc(cc1Cl)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H6Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-9(14)13-12-8/h1-4H,(H2,12,13,14)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Tryapanosom cruzi cruzain by quantitative high throughput screening


J Med Chem 53: 37-51 (2010)


Article DOI: 10.1021/jm901070c
BindingDB Entry DOI: 10.7270/Q2ZP466W
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM59701
PNG
(3-(3,4-dichlorophenyl)-1H-pyrazol-5-ol | 5-(3,4-di...)
Show SMILES Clc1ccc(cc1Cl)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H6Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-9(14)13-12-8/h1-4H,(H2,12,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 852n/an/an/an/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
Cruzipain


(Trypanosoma cruzi)
BDBM59701
PNG
(3-(3,4-dichlorophenyl)-1H-pyrazol-5-ol | 5-(3,4-di...)
Show SMILES Clc1ccc(cc1Cl)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H6Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-9(14)13-12-8/h1-4H,(H2,12,13,14)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Tryapanosom cruzi cruzain by Flexstation microplate spectrofluorometry


J Med Chem 53: 37-51 (2010)


Article DOI: 10.1021/jm901070c
BindingDB Entry DOI: 10.7270/Q2ZP466W
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM59701
PNG
(3-(3,4-dichlorophenyl)-1H-pyrazol-5-ol | 5-(3,4-di...)
Show SMILES Clc1ccc(cc1Cl)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H6Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-9(14)13-12-8/h1-4H,(H2,12,13,14)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair