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BDBM39715 (4E)-2-(4-fluorophenyl)-4-[(2Z)-2-(1,3,3-trimethyl-2-indolylidene)ethylidene]-5-oxazolone::(4E)-2-(4-fluorophenyl)-4-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-1,3-oxazol-5-one::(4E)-2-(4-fluorophenyl)-4-[(2Z)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]-2-oxazolin-5-one::MLS000567247::SMR000153968::cid_2557934

SMILES: CN1\C(=C/C=C2/N=C(OC2=O)c2ccc(F)cc2)C(C)(C)c2ccccc12

InChI Key: InChIKey=DCNVMDHMCDHTGU-RRHLHDAOSA-N

Data: 3 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 4 hits for monomerid = 39715   
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
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39715
PNG
((4E)-2-(4-fluorophenyl)-4-[(2Z)-2-(1,3,3-trimethyl...)
Show SMILES CN1\C(=C/C=C2/N=C(OC2=O)c2ccc(F)cc2)C(C)(C)c2ccccc12 |c:6|
Show InChI InChI=1S/C22H19FN2O2/c1-22(2)16-6-4-5-7-18(16)25(3)19(22)13-12-17-21(26)27-20(24-17)14-8-10-15(23)11-9-14/h4-13H,1-3H3/b17-12+,19-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.57E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MS3R5M
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM39715
PNG
((4E)-2-(4-fluorophenyl)-4-[(2Z)-2-(1,3,3-trimethyl...)
Show SMILES CN1\C(=C/C=C2/N=C(OC2=O)c2ccc(F)cc2)C(C)(C)c2ccccc12 |c:6|
Show InChI InChI=1S/C22H19FN2O2/c1-22(2)16-6-4-5-7-18(16)25(3)19(22)13-12-17-21(26)27-20(24-17)14-8-10-15(23)11-9-14/h4-13H,1-3H3/b17-12+,19-13-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.00E+5n/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-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39715
PNG
((4E)-2-(4-fluorophenyl)-4-[(2Z)-2-(1,3,3-trimethyl...)
Show SMILES CN1\C(=C/C=C2/N=C(OC2=O)c2ccc(F)cc2)C(C)(C)c2ccccc12 |c:6|
Show InChI InChI=1S/C22H19FN2O2/c1-22(2)16-6-4-5-7-18(16)25(3)19(22)13-12-17-21(26)27-20(24-17)14-8-10-15(23)11-9-14/h4-13H,1-3H3/b17-12+,19-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM39715
PNG
((4E)-2-(4-fluorophenyl)-4-[(2Z)-2-(1,3,3-trimethyl...)
Show SMILES CN1\C(=C/C=C2/N=C(OC2=O)c2ccc(F)cc2)C(C)(C)c2ccccc12 |c:6|
Show InChI InChI=1S/C22H19FN2O2/c1-22(2)16-6-4-5-7-18(16)25(3)19(22)13-12-17-21(26)27-20(24-17)14-8-10-15(23)11-9-14/h4-13H,1-3H3/b17-12+,19-13-
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.80E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair