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BDBM88522 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethyl-2-pyrimidinyl)-2-thiazolamine::4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine::4-[1-azanyl-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine::MLS003123700::SMR001291736::[4-[1-amino-2-(4-chlorophenyl)ethyl]thiazol-2-yl]-(4,6-dimethylpyrimidin-2-yl)amine::cid_46948249

SMILES: Cc1cc(C)nc(Nc2nc(cs2)C(N)Cc2ccc(Cl)cc2)n1

InChI Key: InChIKey=PJGBSUTYVWCCIU-UHFFFAOYSA-N

Data: 2 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 = 88522   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM88522
PNG
(4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethy...)
Show SMILES Cc1cc(C)nc(Nc2nc(cs2)C(N)Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C17H18ClN5S/c1-10-7-11(2)21-16(20-10)23-17-22-15(9-24-17)14(19)8-12-3-5-13(18)6-4-12/h3-7,9,14H,8,19H2,1-2H3,(H,20,21,22,23)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.25E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KK99CT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88522
PNG
(4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethy...)
Show SMILES Cc1cc(C)nc(Nc2nc(cs2)C(N)Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C17H18ClN5S/c1-10-7-11(2)21-16(20-10)23-17-22-15(9-24-17)14(19)8-12-3-5-13(18)6-4-12/h3-7,9,14H,8,19H2,1-2H3,(H,20,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>8.92E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair