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BDBM67287 MLS000770828::N-(2-chloranyl-5-nitro-phenyl)-2-(diethylamino)-4-methyl-1,3-thiazole-5-carbothioamide::N-(2-chloro-5-nitro-phenyl)-2-(diethylamino)-4-methyl-thiazole-5-carbothioamide::N-(2-chloro-5-nitrophenyl)-2-(diethylamino)-4-methyl-1,3-thiazole-5-carbothioamide::N-(2-chloro-5-nitrophenyl)-2-(diethylamino)-4-methyl-5-thiazolecarbothioamide::SMR000344072::cid_2100716

SMILES: CCN(CC)c1nc(C)c(s1)C(=S)Nc1cc(ccc1Cl)[N+]([O-])=O

InChI Key: InChIKey=DKCVZWQRTVXRGB-UHFFFAOYSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 67287   
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
Beta-galactosidase


(Escherichia coli)
BDBM67287
PNG
(MLS000770828 | N-(2-chloranyl-5-nitro-phenyl)-2-(d...)
Show SMILES CCN(CC)c1nc(C)c(s1)C(=S)Nc1cc(ccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C15H17ClN4O2S2/c1-4-19(5-2)15-17-9(3)13(24-15)14(23)18-12-8-10(20(21)22)6-7-11(12)16/h6-8H,4-5H2,1-3H3,(H,18,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a 2.48E+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)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2SN07DK
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM67287
PNG
(MLS000770828 | N-(2-chloranyl-5-nitro-phenyl)-2-(d...)
Show SMILES CCN(CC)c1nc(C)c(s1)C(=S)Nc1cc(ccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C15H17ClN4O2S2/c1-4-19(5-2)15-17-9(3)13(24-15)14(23)18-12-8-10(20(21)22)6-7-11(12)16/h6-8H,4-5H2,1-3H3,(H,18,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.55E+3n/an/an/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- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair