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SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1

InChI Key InChIKey=BMMXYEBLEBULND-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 185147   

TargetFerrochelatase, mitochondrial [R115L](Homo sapiens (Human))
Technical University of Munich

LigandPNGBDBM185147((Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-...)copy SMILEScopy InChI
Affinity DataKd:  3.40E+3nMAssay Description:Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB51R8PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
ZUANZHU PHARMA CO., LTD.

US Patent
LigandPNGBDBM185147((Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-...)copy SMILEScopy InChI
Affinity DataIC50: 41.9nMpH: 7.5 T: 2°CAssay Description:1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2NC6011US Patent
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
ZUANZHU PHARMA CO., LTD.

US Patent
LigandPNGBDBM185147((Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-...)copy SMILEScopy InChI
Affinity DataIC50: 1.99nMpH: 7.5 T: 2°CAssay Description:1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2NC6011US Patent
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
ZUANZHU PHARMA CO., LTD.

US Patent
LigandPNGBDBM185147((Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-...)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of PI3Kalpha (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4ZDWPubMed
LigandPNGBDBM185147((Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-...)copy SMILEScopy InChI
Affinity DataIC50: 38nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4VZRPubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM185147((Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-...)copy SMILEScopy InChI
Affinity DataIC50: 38nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4ZDWPubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
ZUANZHU PHARMA CO., LTD.

US Patent
LigandPNGBDBM185147((Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-...)copy SMILEScopy InChI
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4VZRPubMed
LigandPNGBDBM185147((Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-...)copy SMILEScopy InChI
Affinity DataIC50: 63nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4VZRPubMed
LigandPNGBDBM185147((Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-...)copy SMILEScopy InChI
Affinity DataIC50: 63nMAssay Description:Inhibition of PI3Kbeta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4ZDWPubMed