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BDBM91551 3-(4-chlorophenyl)-2,5-diphenyl-3,4-dihydropyrazole::5-(4-chlorophenyl)-1,3-diphenyl-2-pyrazoline::VU0466987-1::cid_248777

SMILES: Clc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1

InChI Key: InChIKey=XPFDBXDITJUQMV-UHFFFAOYSA-N

Data: 2 KI  1 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 6 hits for monomerid = 91551   
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
Cathepsin H


(Capra hircus (Goat))
BDBM91551
PNG
(3-(4-chlorophenyl)-2,5-diphenyl-3,4-dihydropyrazol...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-14,21H,15H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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Article
PubMed
1.17E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of goat liver cathepsin H using Leu-betaNA substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 4233-45 (2014)


Article DOI: 10.1016/j.bmc.2014.05.037
BindingDB Entry DOI: 10.7270/Q25Q4XQH
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM91551
PNG
(3-(4-chlorophenyl)-2,5-diphenyl-3,4-dihydropyrazol...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-14,21H,15H2
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KEGG

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PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of goat liver cathepsin B using BANA substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 4233-45 (2014)


Article DOI: 10.1016/j.bmc.2014.05.037
BindingDB Entry DOI: 10.7270/Q25Q4XQH
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM91551
PNG
(3-(4-chlorophenyl)-2,5-diphenyl-3,4-dihydropyrazol...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-14,21H,15H2
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KEGG

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PubMed
n/an/a 6.25E+3n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of goat liver cathepsin H using Leu-betaNA substrate pre-incubated 30 mins before substrate addition by colorimetry


Bioorg Med Chem 22: 4233-45 (2014)


Article DOI: 10.1016/j.bmc.2014.05.037
BindingDB Entry DOI: 10.7270/Q25Q4XQH
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM91551
PNG
(3-(4-chlorophenyl)-2,5-diphenyl-3,4-dihydropyrazol...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-14,21H,15H2
PDB
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NCI pathway
Reactome pathway
KEGG

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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2668BRK
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM91551
PNG
(3-(4-chlorophenyl)-2,5-diphenyl-3,4-dihydropyrazol...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-14,21H,15H2
PDB
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KEGG

UniProtKB/SwissProt

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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29Z93G0
More data for this
Ligand-Target Pair
botulinum neurotoxin type F, BoNT/F


(Clostridium botulinum Bf)
BDBM91551
PNG
(3-(4-chlorophenyl)-2,5-diphenyl-3,4-dihydropyrazol...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-14,21H,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22F7M0T
More data for this
Ligand-Target Pair