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
Find this compound or compounds like it in BindingDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 50507492   

TargetProto-oncogene tyrosine-protein kinase ROS(Homo sapiens (Human))
Array Biopharma

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  2.70nMAssay Description:The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50: <1nMAssay Description:The compound was evaluated for its binding affinity against wild type scytalone dehydratase (SD)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase ROS [D2033N](Homo sapiens (Human))
Array Biopharma

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  3.60nMAssay Description:The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetProto-oncogene tyrosine-protein kinase ROS [G2032R](Homo sapiens (Human))
Array Biopharma

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  0.5nMAssay Description:The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  0.980nMAssay Description:Inhibition of TRKA G667C mutant (unknown origin) using poly-EAY peptide as substrate in presence of gamma-33ATP by LanthaScreen assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  2nMAssay Description:Inhibition of TRKA G595R mutant (unknown origin) using poly-EAY peptide as substrate in presence of gamma-33ATP by LanthaScreen assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase ROS(Homo sapiens (Human))
Array Biopharma

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  2.70nMAssay Description:The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetProto-oncogene tyrosine-protein kinase ROS [G2032R](Homo sapiens (Human))
Array Biopharma

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  20.4nMAssay Description:The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetProto-oncogene tyrosine-protein kinase ROS [L2026M](Homo sapiens (Human))
Array Biopharma

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  3.60nMAssay Description:The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetProto-oncogene tyrosine-protein kinase ROS [D2033N](Homo sapiens (Human))
Array Biopharma

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  0.5nMAssay Description:The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  9.30nMAssay Description:Inhibition of wildtype TRKA (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 40 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  7.60nMAssay Description:Inhibition of TRKA GS95R mutant (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 4...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  13nMAssay Description:Inhibition of TRKA G667C mutant (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 4...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNT-3 growth factor receptor(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  3nMAssay Description:Inhibition of wild type TrkC (unknown origin) using poly(Glu: Tyr) as substrate preincubated for 15 mins followed by substrate addition and further i...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  2nMAssay Description:Inhibition of wild type TrkA (unknown origin) using poly(Glu: Tyr) as substrate preincubated for 15 mins followed by substrate addition and further i...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBDNF/NT-3 growth factors receptor(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  2nMAssay Description:Inhibition of wild type TrkB (unknown origin) using poly(Glu: Tyr) as substrate preincubated for 15 mins followed by substrate addition and further i...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki 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))
Sichuan 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))
Sichuan 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))
Kinki 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))
Kinki 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))
Kinki 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))
Kinki 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))
Kinki 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))
Sichuan 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))
Array Biopharma

US Patent
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
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  5.80nMAssay Description:Inhibition of TRKA F589L mutant (unknown origin) using TK-sub-biotin peptide as substrate incubated for 30 mins followed by treated with ATP and subs...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  7.60nMAssay Description:Inhibition of TRKA G595R mutant (unknown origin) using TK-sub-biotin peptide as substrate incubated for 30 mins followed by treated with ATP and subs...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  9.30nMAssay Description:Inhibition of recombinant human His-tagged TRKA cytoplasmic domain (441 to 796 residues) expressed in insect cells using TK-sub biotin peptide substr...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  7.60nMAssay Description:Inhibition of TRKA G595R mutant (unknown origin) using TK-sub biotin peptide substrate preincubated for 30 mins followed by substrate addition and me...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  13nMAssay Description:Inhibition of TRKA G667C mutant (unknown origin) using TK-sub biotin peptide substrate preincubated for 30 mins followed by substrate addition and me...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  5.5nMAssay Description:Inhibition of TRKA G623R mutant (unknown origin) using TK-sub biotin peptide substrate preincubated for 30 mins followed by substrate addition and me...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  0.0700nMAssay Description:Inhibition of wildtype human TRKA using poly (Glu,Tyr) 4:1 as substrate in presence of [gamma-33P]ATP by hotspot kinase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  3nMAssay Description:Inhibition of N-terminal hexahistidine tagged TRKA (485 to 795 residues) (unknown origin) expressed in Sf9 cells using Ser/Thr 06 peptide as substrat...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNT-3 growth factor receptor(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  2.40nMAssay Description:Inhibition of TRKC (unknown origin) using Ser/Thr 06 peptide as substrate incubated for 1 hr in presence of 50 uM ATP by FRET based Z'-Lyte assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  300nMAssay Description:Inhibition of TRKA G667C mutant (unknown origin) using Ser/Thr 06 peptide as substrate incubated for 1 hr in presence of 400 uM ATP by FRET based Z'-...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  2.10nMAssay Description:Inhibition of TRKA G595R mutant (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProto-oncogene tyrosine-protein kinase ROS [L2026M](Homo sapiens (Human))
Array Biopharma

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Affinity DataIC50:  20.4nMAssay Description:The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...More data for this Ligand-Target Pair
In DepthDetails US Patent