BDBM261607 US10513499, Compound 18::US11254644, Compound 18::US9708272, 18

SMILES c1cc(cc(c1)CSC2=NC(=C(C(=O)N2)C#N)c3cccs3)CC(=O)O

InChI Key InChIKey=RJQYGCGMQYVVIB-UHFFFAOYSA-N

Data  8 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 261607   

LigandPNGBDBM261607(US9708272, 18 | US10513499, Compound 18 | US112546...)
Affinity DataIC50: 10nMAssay Description:The pre-assay mixture consisting of 3-hydroxyanthranilic acid (3OH-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/30/2018
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM261607(US9708272, 18 | US10513499, Compound 18 | US112546...)
Affinity DataIC50: 13nMAssay Description:Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Tes Pharma

Curated by ChEMBL
LigandPNGBDBM261607(US9708272, 18 | US10513499, Compound 18 | US112546...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human CYP2D6 expressed in baculosomes expression system using fluorogenic-BOMCC as substrate by fluorescent homogeneous ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Tes Pharma

Curated by ChEMBL
LigandPNGBDBM261607(US9708272, 18 | US10513499, Compound 18 | US112546...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human CYP2C19 expressed in baculosomes expression system using fluorogenic-BOMCC as substrate by fluorescent homogeneous as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tes Pharma

Curated by ChEMBL
LigandPNGBDBM261607(US9708272, 18 | US10513499, Compound 18 | US112546...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in baculosomes expression system using fluorogenic-BOMCC as substrate by fluorescent homogeneous ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A1(Rat)
Tes Pharma

Curated by ChEMBL
LigandPNGBDBM261607(US9708272, 18 | US10513499, Compound 18 | US112546...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant rat CYP3A1 expressed in baculosomes expression system using fluorogenic-BOMCC as substrate by fluorescent homogeneous assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM261607(US9708272, 18 | US10513499, Compound 18 | US112546...)
Affinity DataIC50: 10nMAssay Description:The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2020
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM261607(US9708272, 18 | US10513499, Compound 18 | US112546...)
Affinity DataIC50: 10nMAssay Description:The activity of compounds 1-19 and 21-23 as inhibitors of ACMSD1 was determined by measuring the conversion of 3OH-Anthranilic Acid into product (i.e...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/17/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)