BDBM258444 US9512130, 2

SMILES COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F

InChI Key InChIKey=WNEILUNVMHVMPH-UHFFFAOYSA-N

Data  7 IC50

PDB links: 2 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 258444   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM258444(US9512130, 2)
Affinity DataIC50: >1.00E+4nMpH: 7.4 T: 2°CAssay Description:The potential of the test compound to act as a competitive inhibitor of CYP3A4 was evaluated in in vitro assays, using human liver microsomes and the...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Jilin University

Curated by ChEMBL
LigandPNGBDBM258444(US9512130, 2)
Affinity DataIC50:  0.630nMAssay 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
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Jilin University

Curated by ChEMBL
LigandPNGBDBM258444(US9512130, 2)
Affinity DataIC50:  0.700nMAssay 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
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Jilin University

Curated by ChEMBL
LigandPNGBDBM258444(US9512130, 2)
Affinity DataIC50: <1nMAssay Description:Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate by TR-FRET assayMore data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Jilin University

Curated by ChEMBL
LigandPNGBDBM258444(US9512130, 2)
Affinity DataIC50:  0.25nMAssay 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
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Jilin University

Curated by ChEMBL
LigandPNGBDBM258444(US9512130, 2)
Affinity DataIC50: <1nMAssay Description:Displacement of tracer K9 from NanoLuc-fused MPS1 (unknown origin) expressed in HEK293T cells measured after 2 hrs by NanoBRET assayMore data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Jilin University

Curated by ChEMBL
LigandPNGBDBM258444(US9512130, 2)
Affinity DataIC50:  1nMAssay 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