null

SMILES CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F

InChI Key InChIKey=LMMJFBMMJUMSJS-UHFFFAOYSA-N

PDB links: 3 PDB IDs match 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 14 hits for monomerid = 50010462   

TargetCytochrome P450 2C9(Homo sapiens (Human))
Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 30 mins preincubation by LC-MS/MS analysis in absence of ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27W6DQDPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)copy SMILEScopy InChI
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 30 mins preincubation by LC-MS/MS analysis in presence of...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27W6DQDPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 30 mins preincubation by LC-MS/MS analysis in absence of N...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27W6DQDPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 30 mins preincubation by LC-MS/MS analysis in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27W6DQDPubMed
TargetRAF proto-oncogene serine/threonine-protein kinase(Homo sapiens (Human))
Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)copy SMILEScopy InChI
Affinity DataIC50: 56nMAssay Description:Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27W6DQDPubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Celgene Quanticel Research, Inc.

US Patent
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)copy SMILEScopy InChI
Affinity DataIC50: 292nMMore data for this Ligand-Target Pair
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Celgene Quanticel Research, Inc.

US Patent
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)copy SMILEScopy InChI
Affinity DataIC50: 160nMMore data for this Ligand-Target Pair
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Celgene Quanticel Research, Inc.

US Patent
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)copy SMILEScopy InChI
Affinity DataIC50: 160nMAssay Description:The IC50 for MEK1 and 2 can be measured by methods in references such as [Yamaguchi et al. (2011) International Journal of Oncology 39:23-31].More data for this Ligand-Target Pair
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)copy SMILEScopy InChI
Affinity DataKd:  2.22nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)copy SMILEScopy InChI
Affinity DataIC50: 160nMMore data for this Ligand-Target Pair
TargetRAF proto-oncogene serine/threonine-protein kinase(Homo sapiens (Human))
Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)copy SMILEScopy InChI
Affinity DataIC50: 56nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DR30FWPubMed
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))TBA
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)copy SMILEScopy InChI
Affinity DataIC50: 19nMMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))TBA
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)copy SMILEScopy InChI
Affinity DataIC50: 8.20nMMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))TBA
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)copy SMILEScopy InChI
Affinity DataIC50: 11nMMore data for this Ligand-Target Pair