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BDBM50714 (8S)-7-(4-chlorobenzoyl)-3-(3-methacrylamidophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::(8S)-7-(4-chlorobenzoyl)-3-[3-(2-methylprop-2-enoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::(8S)-7-(4-chlorophenyl)carbonyl-3-[3-(2-methylprop-2-enoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::(8S)-7-[(4-chlorophenyl)-oxomethyl]-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::MLS000561936::SMR000390654::cid_16745473

SMILES: CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1

InChI Key: InChIKey=FXSYTBRKDHBDOL-QHELBMECSA-N

Data: 4 IC50  3 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 7 hits for monomerid = 50714   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50714
PNG
((8S)-7-(4-chlorobenzoyl)-3-(3-methacrylamidophenyl...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:13|
Show InChI InChI=1S/C24H23ClN4O4/c1-14(2)22(31)27-18-5-3-4-16(10-18)19-11-24(33-28-19)12-20(21(26)30)29(13-24)23(32)15-6-8-17(25)9-7-15/h3-10,20H,1,11-13H2,2H3,(H2,26,30)(H,27,31)/t20-,24?/m0/s1
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n/an/a 1.54E+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: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM50714
PNG
((8S)-7-(4-chlorobenzoyl)-3-(3-methacrylamidophenyl...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:13|
Show InChI InChI=1S/C24H23ClN4O4/c1-14(2)22(31)27-18-5-3-4-16(10-18)19-11-24(33-28-19)12-20(21(26)30)29(13-24)23(32)15-6-8-17(25)9-7-15/h3-10,20H,1,11-13H2,2H3,(H2,26,30)(H,27,31)/t20-,24?/m0/s1
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n/an/a 9.01E+3n/an/an/an/an/an/a



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 (2009)


BindingDB Entry DOI: 10.7270/Q2ZC819K
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4H


(Homo sapiens (Human))
BDBM50714
PNG
((8S)-7-(4-chlorobenzoyl)-3-(3-methacrylamidophenyl...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:13|
Show InChI InChI=1S/C24H23ClN4O4/c1-14(2)22(31)27-18-5-3-4-16(10-18)19-11-24(33-28-19)12-20(21(26)30)29(13-24)23(32)15-6-8-17(25)9-7-15/h3-10,20H,1,11-13H2,2H3,(H2,26,30)(H,27,31)/t20-,24?/m0/s1
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n/an/a 700n/an/an/an/an/an/a



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 (2009)


BindingDB Entry DOI: 10.7270/Q26W98HW
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM50714
PNG
((8S)-7-(4-chlorobenzoyl)-3-(3-methacrylamidophenyl...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:13|
Show InChI InChI=1S/C24H23ClN4O4/c1-14(2)22(31)27-18-5-3-4-16(10-18)19-11-24(33-28-19)12-20(21(26)30)29(13-24)23(32)15-6-8-17(25)9-7-15/h3-10,20H,1,11-13H2,2H3,(H2,26,30)(H,27,31)/t20-,24?/m0/s1
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n/an/an/an/a 2.35E+3n/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29C6VXX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM50714
PNG
((8S)-7-(4-chlorobenzoyl)-3-(3-methacrylamidophenyl...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:13|
Show InChI InChI=1S/C24H23ClN4O4/c1-14(2)22(31)27-18-5-3-4-16(10-18)19-11-24(33-28-19)12-20(21(26)30)29(13-24)23(32)15-6-8-17(25)9-7-15/h3-10,20H,1,11-13H2,2H3,(H2,26,30)(H,27,31)/t20-,24?/m0/s1
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n/an/a 9.29E+4n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM50714
PNG
((8S)-7-(4-chlorobenzoyl)-3-(3-methacrylamidophenyl...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:13|
Show InChI InChI=1S/C24H23ClN4O4/c1-14(2)22(31)27-18-5-3-4-16(10-18)19-11-24(33-28-19)12-20(21(26)30)29(13-24)23(32)15-6-8-17(25)9-7-15/h3-10,20H,1,11-13H2,2H3,(H2,26,30)(H,27,31)/t20-,24?/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB447H
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50714
PNG
((8S)-7-(4-chlorobenzoyl)-3-(3-methacrylamidophenyl...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:13|
Show InChI InChI=1S/C24H23ClN4O4/c1-14(2)22(31)27-18-5-3-4-16(10-18)19-11-24(33-28-19)12-20(21(26)30)29(13-24)23(32)15-6-8-17(25)9-7-15/h3-10,20H,1,11-13H2,2H3,(H2,26,30)(H,27,31)/t20-,24?/m0/s1
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n/an/an/an/a 730n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2B56H72
More data for this
Ligand-Target Pair