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BDBM39564 2-(2-chlorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile::2-(2-chlorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile::2-(2-chlorophenyl)-5-(p-anisidino)oxazole-4-carbonitrile::2-(2-chlorophenyl)-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile::MLS000103052::SMR000018585::cid_946201

SMILES: COc1ccc(Nc2oc(nc2C#N)-c2ccccc2Cl)cc1

InChI Key: InChIKey=RXBBQCAWCVEWFQ-UHFFFAOYSA-N

Data: 1 IC50  4 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 5 hits for monomerid = 39564   
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))
BDBM39564
PNG
(2-(2-chlorophenyl)-5-(4-methoxyanilino)-1,3-oxazol...)
Show SMILES COc1ccc(Nc2oc(nc2C#N)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C17H12ClN3O2/c1-22-12-8-6-11(7-9-12)20-17-15(10-19)21-16(23-17)13-4-2-3-5-14(13)18/h2-9,20H,1H3
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MMDB

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PCBioAssay
n/an/an/an/a 2.74E+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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM39564
PNG
(2-(2-chlorophenyl)-5-(4-methoxyanilino)-1,3-oxazol...)
Show SMILES COc1ccc(Nc2oc(nc2C#N)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C17H12ClN3O2/c1-22-12-8-6-11(7-9-12)20-17-15(10-19)21-16(23-17)13-4-2-3-5-14(13)18/h2-9,20H,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z036KJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM39564
PNG
(2-(2-chlorophenyl)-5-(4-methoxyanilino)-1,3-oxazol...)
Show SMILES COc1ccc(Nc2oc(nc2C#N)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C17H12ClN3O2/c1-22-12-8-6-11(7-9-12)20-17-15(10-19)21-16(23-17)13-4-2-3-5-14(13)18/h2-9,20H,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N58JS6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM39564
PNG
(2-(2-chlorophenyl)-5-(4-methoxyanilino)-1,3-oxazol...)
Show SMILES COc1ccc(Nc2oc(nc2C#N)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C17H12ClN3O2/c1-22-12-8-6-11(7-9-12)20-17-15(10-19)21-16(23-17)13-4-2-3-5-14(13)18/h2-9,20H,1H3
PDB
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39564
PNG
(2-(2-chlorophenyl)-5-(4-methoxyanilino)-1,3-oxazol...)
Show SMILES COc1ccc(Nc2oc(nc2C#N)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C17H12ClN3O2/c1-22-12-8-6-11(7-9-12)20-17-15(10-19)21-16(23-17)13-4-2-3-5-14(13)18/h2-9,20H,1H3
PDB
MMDB

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KEGG

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.92E+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