BDBM50056939 4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid::CHEMBL176570::NSC-92186::Parellic acid, 3::cid_23725

SMILES Cc1cc(c(c2c1C(=O)Oc3c(c(cc(c3O2)C(=O)O)OC)C)C=O)O

InChI Key InChIKey=FUCWJKJZOHOLEO-UHFFFAOYSA-N

Data  8 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50056939   

LigandPNGBDBM50056939(NSC-92186 | CHEMBL176570 | Parellic acid, 3 | cid_...)
Affinity DataIC50: 8.50E+4nMAssay Description:Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
LigandPNGBDBM50056939(NSC-92186 | CHEMBL176570 | Parellic acid, 3 | cid_...)
Affinity DataIC50: 5.45E+3nMAssay Description:Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay
TargetDual specificity mitogen-activated protein kinase kinase 6(Human)
Yale University School of Medicine

LigandPNGBDBM50056939(NSC-92186 | CHEMBL176570 | Parellic acid, 3 | cid_...)
Affinity DataIC50: 1.25E+5nMAssay Description:The labeled fragment can be distinguished from full-length MKK by a change in fluorescence polarization. MKK6 was used as a substrate because it cou...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056939(NSC-92186 | CHEMBL176570 | Parellic acid, 3 | cid_...)
Affinity DataIC50: 1.51E+4nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056939(NSC-92186 | CHEMBL176570 | Parellic acid, 3 | cid_...)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056939(NSC-92186 | CHEMBL176570 | Parellic acid, 3 | cid_...)
Affinity DataIC50: 1.23E+4nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056939(NSC-92186 | CHEMBL176570 | Parellic acid, 3 | cid_...)
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH] FabI(Escherichia coli (strain K12))
University of London

Curated by ChEMBL
LigandPNGBDBM50056939(NSC-92186 | CHEMBL176570 | Parellic acid, 3 | cid_...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of Escherichia coli FabI using 2-dodecenoyl-CoA as substrate at pH 8More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed