BDBM50507492 Loxo-195::Selitrectinib::US10966985, Compound 33-B

SMILES C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)N1)c3n2

InChI Key InChIKey=OEBIHOVSAMBXIB-SJKOYZFVSA-N

Data  44 IC50

  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 16 hits for monomerid = 50507492   

TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50: <1nMAssay Description:Inhibition of wild-type TrKA (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBDNF/NT-3 growth factors receptor(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50: <1nMAssay Description:Inhibition of wild-type TrKB (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNT-3 growth factor receptor(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50: <1nMAssay Description:Inhibition of wild-type TrKC (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  2nMAssay Description:Inhibition of TrKA G595R mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  9.80nMAssay Description:Inhibition of TrKA G667C mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  6.70nMAssay Description:Inhibition of TrKA (unknown origin) incubated for 120 mins in presence of 33P-ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  6.20nMAssay Description:Inhibition of TrKA G595R mutant (unknown origin) incubated for 120 mins in presence of 33P-ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  110nMAssay Description:Inhibition of TrKA G667C mutant (unknown origin) incubated for 120 mins in presence of 33P-ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNT-3 growth factor receptor(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  0.5nMAssay Description:Inhibition of TrKC (unknown origin) incubated for 120 mins in presence of 33P-ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  274nMAssay Description:Inhibition of ALK (unknown origin) incubated for 120 mins in presence of 33P-ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase ROS(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of ROS1 (unknown origin) incubated for 120 mins in presence of 33P-ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP1A2 in human pooled liver microsomes using phenacetin as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C9 in human pooled liver microsomes using diclofenac as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C19 in human pooled liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2D6 in human pooled liver microsomes using dextromethorphan as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Yantai University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 in human pooled liver microsomes using midazolam and testosterone as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed