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BDBM42450 (4E)-4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone::(4E)-4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one::(4E)-4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one::(4E)-4-[4-(1,3-benzothiazol-2-yl)-3-pyrazolin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one::MLS000680157::SMR000324423::US8754233, 4-(4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-benzene-1,3-diol::cid_6710438

SMILES: Oc1ccc(-c2n[nH]cc2-c2nc3ccccc3s2)c(O)c1

InChI Key: InChIKey=KUEDPQPSINBLKI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 42450   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42450
PNG
((4E)-4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyraz...)
Show SMILES Oc1ccc(-c2n[nH]cc2-c2nc3ccccc3s2)c(O)c1
Show InChI InChI=1S/C16H11N3O2S/c20-9-5-6-10(13(21)7-9)15-11(8-17-19-15)16-18-12-3-1-2-4-14(12)22-16/h1-8,20-21H,(H,17,19)
PDB

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UniProtKB/SwissProt

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UniChem

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PCBioAssay
n/an/a>3.50E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2ZS2TWK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ILK-1


(Homo sapiens (Human))
BDBM42450
PNG
((4E)-4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyraz...)
Show SMILES Oc1ccc(-c2n[nH]cc2-c2nc3ccccc3s2)c(O)c1
Show InChI InChI=1S/C16H11N3O2S/c20-9-5-6-10(13(21)7-9)15-11(8-17-19-15)16-18-12-3-1-2-4-14(12)22-16/h1-8,20-21H,(H,17,19)
PDB
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US Patent
n/an/a 3.30E+3n/an/an/an/an/a40



Dermira (Canada), Inc.

US Patent


Assay Description
5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...


US Patent US8754233 (2014)


BindingDB Entry DOI: 10.7270/Q23N2231
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42450
PNG
((4E)-4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyraz...)
Show SMILES Oc1ccc(-c2n[nH]cc2-c2nc3ccccc3s2)c(O)c1
Show InChI InChI=1S/C16H11N3O2S/c20-9-5-6-10(13(21)7-9)15-11(8-17-19-15)16-18-12-3-1-2-4-14(12)22-16/h1-8,20-21H,(H,17,19)
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>3.50E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V1235Z
More data for this
Ligand-Target Pair