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BDBM39568 2-(dimethylaminomethyleneamino)-4-methyl-N-phenyl-thiazole-5-carboxamide::2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide::2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-5-thiazolecarboxamide::MLS000111119::SMR000107046::cid_2894078

SMILES: CN(C)C=Nc1nc(C)c(s1)C(=O)Nc1ccccc1

InChI Key: InChIKey=YUCOSNPWCIXKKP-OQLLNIDSSA-N

Data: 1 IC50  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 3 hits for monomerid = 39568   
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
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39568
PNG
(2-(dimethylaminomethyleneamino)-4-methyl-N-phenyl-...)
Show SMILES CN(C)C=Nc1nc(C)c(s1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H16N4OS/c1-10-12(20-14(16-10)15-9-18(2)3)13(19)17-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,17,19)/b15-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.15E+3n/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 Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2028PXQ
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM39568
PNG
(2-(dimethylaminomethyleneamino)-4-methyl-N-phenyl-...)
Show SMILES CN(C)C=Nc1nc(C)c(s1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H16N4OS/c1-10-12(20-14(16-10)15-9-18(2)3)13(19)17-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,17,19)/b15-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39568
PNG
(2-(dimethylaminomethyleneamino)-4-methyl-N-phenyl-...)
Show SMILES CN(C)C=Nc1nc(C)c(s1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H16N4OS/c1-10-12(20-14(16-10)15-9-18(2)3)13(19)17-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,17,19)/b15-9+
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.11E+3n/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 Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair