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BDBM31013 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester::4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoic acid [2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester::MLS000056068::SMR000067172::[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate::[1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate::cid_2998209

SMILES: CC(OC(=O)c1ccc(OCc2c(C)noc2C)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1

InChI Key: InChIKey=PHZWBSTZHMMLTI-UHFFFAOYSA-N

Data: 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 4 hits for monomerid = 31013   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM31013
PNG
(4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid...)
Show SMILES CC(OC(=O)c1ccc(OCc2c(C)noc2C)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C26H29N3O6/c1-17-24(18(2)35-28-17)16-33-23-10-4-20(5-11-23)26(31)34-19(3)25(30)27-21-6-8-22(9-7-21)29-12-14-32-15-13-29/h4-11,19H,12-16H2,1-3H3,(H,27,30)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WW7G03
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM31013
PNG
(4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid...)
Show SMILES CC(OC(=O)c1ccc(OCc2c(C)noc2C)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C26H29N3O6/c1-17-24(18(2)35-28-17)16-33-23-10-4-20(5-11-23)26(31)34-19(3)25(30)27-21-6-8-22(9-7-21)29-12-14-32-15-13-29/h4-11,19H,12-16H2,1-3H3,(H,27,30)
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31013
PNG
(4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid...)
Show SMILES CC(OC(=O)c1ccc(OCc2c(C)noc2C)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C26H29N3O6/c1-17-24(18(2)35-28-17)16-33-23-10-4-20(5-11-23)26(31)34-19(3)25(30)27-21-6-8-22(9-7-21)29-12-14-32-15-13-29/h4-11,19H,12-16H2,1-3H3,(H,27,30)
NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>4.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PN941W
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM31013
PNG
(4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid...)
Show SMILES CC(OC(=O)c1ccc(OCc2c(C)noc2C)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C26H29N3O6/c1-17-24(18(2)35-28-17)16-33-23-10-4-20(5-11-23)26(31)34-19(3)25(30)27-21-6-8-22(9-7-21)29-12-14-32-15-13-29/h4-11,19H,12-16H2,1-3H3,(H,27,30)
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KEGG

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q52MZM
More data for this
Ligand-Target Pair