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SMILES: Cc1c(Cl)c(nn1C)C(=O)NNC(=S)Nc1ccc(C)cc1

InChI Key: InChIKey=WVGMLLDEEJVRGJ-UHFFFAOYSA-N

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 5 hits for monomerid = 43811   
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43811
PNG
(1-[(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)carbonyl...)
Show SMILES Cc1c(Cl)c(nn1C)C(=O)NNC(=S)Nc1ccc(C)cc1
Show InChI InChI=1S/C14H16ClN5OS/c1-8-4-6-10(7-5-8)16-14(22)18-17-13(21)12-11(15)9(2)20(3)19-12/h4-7H,1-3H3,(H,17,21)(H2,16,18,22)
KEGG

UniProtKB/SwissProt

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PCBioAssay
n/an/an/an/a 1.81E+4n/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)


BindingDB Entry DOI: 10.7270/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM43811
PNG
(1-[(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)carbonyl...)
Show SMILES Cc1c(Cl)c(nn1C)C(=O)NNC(=S)Nc1ccc(C)cc1
Show InChI InChI=1S/C14H16ClN5OS/c1-8-4-6-10(7-5-8)16-14(22)18-17-13(21)12-11(15)9(2)20(3)19-12/h4-7H,1-3H3,(H,17,21)(H2,16,18,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PCBioAssay
n/an/a>1.00E+5n/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 (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
Group 3 secretory phospholipase A2


(Homo sapiens)
BDBM43811
PNG
(1-[(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)carbonyl...)
Show SMILES Cc1c(Cl)c(nn1C)C(=O)NNC(=S)Nc1ccc(C)cc1
Show InChI InChI=1S/C14H16ClN5OS/c1-8-4-6-10(7-5-8)16-14(22)18-17-13(21)12-11(15)9(2)20(3)19-12/h4-7H,1-3H3,(H,17,21)(H2,16,18,22)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.22E+5n/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 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GCW
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43811
PNG
(1-[(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)carbonyl...)
Show SMILES Cc1c(Cl)c(nn1C)C(=O)NNC(=S)Nc1ccc(C)cc1
Show InChI InChI=1S/C14H16ClN5OS/c1-8-4-6-10(7-5-8)16-14(22)18-17-13(21)12-11(15)9(2)20(3)19-12/h4-7H,1-3H3,(H,17,21)(H2,16,18,22)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC sid
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PCBioAssay
n/an/an/an/a 4.17E+4n/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-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2N58JTN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43811
PNG
(1-[(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)carbonyl...)
Show SMILES Cc1c(Cl)c(nn1C)C(=O)NNC(=S)Nc1ccc(C)cc1
Show InChI InChI=1S/C14H16ClN5OS/c1-8-4-6-10(7-5-8)16-14(22)18-17-13(21)12-11(15)9(2)20(3)19-12/h4-7H,1-3H3,(H,17,21)(H2,16,18,22)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


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PCBioAssay
n/an/an/an/a 1.41E+4n/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 (2009)


BindingDB Entry DOI: 10.7270/Q26Q1VPD
More data for this
Ligand-Target Pair