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BDBM75858 1-tert-butyl-3-[[(E)-[3-(4-methoxyphenyl)-4-pyrazolylidene]methyl]amino]thiourea::1-tert-butyl-3-[[(E)-[3-(4-methoxyphenyl)pyrazol-4-ylidene]methyl]amino]thiourea::MLS-0437441.0001::cid_5703674

SMILES: COc1ccc(cc1)-c1n[nH]cc1C=NNC(=S)NC(C)(C)C

InChI Key: InChIKey=YXUGKHVWXLEKHW-VCHYOVAHSA-N

Data: 2 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 2 hits for monomerid = 75858   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM75858
PNG
(1-tert-butyl-3-[[(E)-[3-(4-methoxyphenyl)-4-pyrazo...)
Show SMILES COc1ccc(cc1)-c1n[nH]cc1C=NNC(=S)NC(C)(C)C
Show InChI InChI=1S/C16H21N5OS/c1-16(2,3)19-15(23)21-18-10-12-9-17-20-14(12)11-5-7-13(22-4)8-6-11/h5-10H,1-4H3,(H,17,20)(H2,19,21,23)/b18-10+
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.64E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2QV3K0X
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM75858
PNG
(1-tert-butyl-3-[[(E)-[3-(4-methoxyphenyl)-4-pyrazo...)
Show SMILES COc1ccc(cc1)-c1n[nH]cc1C=NNC(=S)NC(C)(C)C
Show InChI InChI=1S/C16H21N5OS/c1-16(2,3)19-15(23)21-18-10-12-9-17-20-14(12)11-5-7-13(22-4)8-6-11/h5-10H,1-4H3,(H,17,20)(H2,19,21,23)/b18-10+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.20E+4n/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 Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VM49RP
More data for this
Ligand-Target Pair