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2 similar compounds to monomer 50383377

Compile data set for download or QSAR
Wt: 222.2
BDBM39194
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Wt: 281.3
BDBM50388026

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 39194,50388026   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM39194
PNG
((1H-Benzoimidazol-5-yl)-phenyl-methanone | 3H-benz...)
Show SMILES O=C(c1ccccc1)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C14H10N2O/c17-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)16-9-15-12/h1-9H,(H,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PCBioAssay
n/an/a 1.63E+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 Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc1000488
BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50388026
PNG
(CHEMBL2059160)
Show SMILES OCCNc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H15N3O2/c20-9-8-17-16-18-13-7-6-12(10-14(13)19-16)15(21)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2,(H2,17,18,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1


Bioorg Med Chem Lett 22: 5264-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.050
BindingDB Entry DOI: 10.7270/Q2X63P0G
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM39194
PNG
((1H-Benzoimidazol-5-yl)-phenyl-methanone | 3H-benz...)
Show SMILES O=C(c1ccccc1)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C14H10N2O/c17-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)16-9-15-12/h1-9H,(H,15,16)
PDB

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair