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BDBM53906 4-[(3E)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-phenyl-pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid::4-[(3E)-3-(6-chloro-2-keto-4-phenyl-3-quinolylidene)-5-phenyl-pyrazolidin-1-yl]-4-keto-butyric acid::4-[(3E)-3-(6-chloro-2-oxo-4-phenyl-3-quinolinylidene)-5-phenyl-1-pyrazolidinyl]-4-oxobutanoic acid::4-[(3E)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-phenylpyrazolidin-1-yl]-4-oxobutanoic acid::CHEMBL1332173::MLS000714084::SMR000273564::cid_5344006

SMILES: OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O

InChI Key: InChIKey=UKHXFNMEESCBBU-UHFFFAOYSA-N

Data: 4 IC50

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 = 53906   
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
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM53906
PNG
(4-[(3E)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-qu...)
Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
Show InChI InChI=1S/C28H22ClN3O4/c29-19-11-12-21-20(15-19)26(18-9-5-2-6-10-18)27(28(36)30-21)22-16-23(17-7-3-1-4-8-17)32(31-22)24(33)13-14-25(34)35/h1-12,15,23H,13-14,16H2,(H,30,36)(H,34,35)
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 4.60E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2D


(Rattus norvegicus (Rat))
BDBM53906
PNG
(4-[(3E)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-qu...)
Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
Show InChI InChI=1S/C28H22ClN3O4/c29-19-11-12-21-20(15-19)26(18-9-5-2-6-10-18)27(28(36)30-21)22-16-23(17-7-3-1-4-8-17)32(31-22)24(33)13-14-25(34)35/h1-12,15,23H,13-14,16H2,(H,30,36)(H,34,35)
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Article
PubMed
n/an/a 8.80E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2D receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM53906
PNG
(4-[(3E)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-qu...)
Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
Show InChI InChI=1S/C28H22ClN3O4/c29-19-11-12-21-20(15-19)26(18-9-5-2-6-10-18)27(28(36)30-21)22-16-23(17-7-3-1-4-8-17)32(31-22)24(33)13-14-25(34)35/h1-12,15,23H,13-14,16H2,(H,30,36)(H,34,35)
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PubMed
n/an/a 8.60E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2C receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM53906
PNG
(4-[(3E)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-qu...)
Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
Show InChI InChI=1S/C28H22ClN3O4/c29-19-11-12-21-20(15-19)26(18-9-5-2-6-10-18)27(28(36)30-21)22-16-23(17-7-3-1-4-8-17)32(31-22)24(33)13-14-25(34)35/h1-12,15,23H,13-14,16H2,(H,30,36)(H,34,35)
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n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair