BDBM329334 (2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(methylsulfonyl)phenyl]-amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propanamide::US11208696, Example 29::US9663510, Example 01.01

SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)S(C)(=O)=O

InChI Key InChIKey=NRJKIOCCERLIDG-UHFFFAOYSA-N

Data  7 IC50  11 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 329334   

TargetDual specificity protein kinase TTK(Human)
Jilin University

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataIC50: 0.340nMAssay Description:Inhibition of MPS1 (unknown origin) using biotin-AhxPWDPDDADITEILG-NH2 as substrate preincubated for 15 mins followed by substrate addition by TR-FRE...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Jilin University

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataIC50: 0.340nMAssay Description:Inhibition of N-terminally GST-tagged human full length recombinant human Mps1 using PWDPDDADITEILG as substrate preincubated for 15 min and in the p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetDual specificity protein kinase TTK(Human)
Jilin University

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataIC50: 1nMAssay Description:For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2019
Entry Details
Go to US Patent

TargetMitogen-activated protein kinase 9(Human)
Bayer Pharma AG

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataKd:  1.60nMAssay Description:Binding affinity to JNK2 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetDual specificity protein kinase TTK(Human)
Jilin University

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of GST-tagged recombinant human MPS1 expressed in baculovirus expression system using biotin-Ahx-PWDPDDADITEILG as substrate preincubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 8(Human)
Bayer Pharma AG

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataKd:  2.40nMAssay Description:Binding affinity to JNK1 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetDual specificity protein kinase TTK(Human)
Jilin University

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataIC50: 2.55nMAssay Description:The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/3/2022
Entry Details
Go to US Patent

LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataKd:  2.80nMAssay Description:Binding affinity to PIP5K2C (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetMast/stem cell growth factor receptor Kit(Human)
Bayer Pharma AG

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataKd:  3.70nMAssay Description:Binding affinity to KIT (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSerine/threonine-protein kinase BRSK2(Human)
Bayer Pharma AG

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataKd:  4nMAssay Description:Binding affinity to BRSK2 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataKd:  4nMAssay Description:Binding affinity to HPK1 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSerine/threonine-protein kinase 38(Human)
Bayer Pharma AG

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataKd:  4nMAssay Description:Binding affinity to NDR1 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSerine/threonine-protein kinase mTOR(Human)
Bayer Pharma AG

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataKd:  4nMAssay Description:Binding affinity to MTOR (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetMisshapen-like kinase 1(Human)
Bayer Pharma AG

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataKd:  4nMAssay Description:Binding affinity to MINK (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetDual specificity protein kinase TTK(Human)
Jilin University

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataKd:  7.30nMAssay Description:Binding affinity to TTK (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetMitogen-activated protein kinase 10(Human)
Bayer Pharma AG

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataKd:  9.60nMAssay Description:Binding affinity to JNK3 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetDual specificity protein kinase TTK(Human)
Jilin University

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataIC50: 53nMAssay Description:Inhibition of MPS1 in human HeLa cells assessed as reduction in spindle assembly checkpoint incubated for 4 hrs by p-histone H3/Hoechst 33342 stainin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Jilin University

Curated by ChEMBL
LigandPNGBDBM329334((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Affinity DataIC50: 84nMAssay Description:Inhibition of Mps1 in human A2780 cells assessed as abolish in KNL-1 phosphorylation at Thr-875 level and pretreated with 100 nmol/L paclitaxel withi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed