null

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

InChI Key InChIKey=OEBIHOVSAMBXIB-SJKOYZFVSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

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 Inc.

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2KH0RC3US Patent
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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
TargetProto-oncogene tyrosine-protein kinase ROS [D2033N](Homo sapiens (Human))
Array BioPharma Inc.

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2KH0RC3US Patent
TargetProto-oncogene tyrosine-protein kinase ROS [G2032R](Homo sapiens (Human))
Array BioPharma Inc.

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2KH0RC3US Patent
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q29Z986GPubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q29Z986GPubMed
TargetProto-oncogene tyrosine-protein kinase ROS(Homo sapiens (Human))
Array BioPharma Inc.

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2639ST6US Patent
TargetProto-oncogene tyrosine-protein kinase ROS [G2032R](Homo sapiens (Human))
Array BioPharma Inc.

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2639ST6US Patent
TargetProto-oncogene tyrosine-protein kinase ROS [L2026M](Homo sapiens (Human))
Array BioPharma Inc.

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2639ST6US Patent
TargetProto-oncogene tyrosine-protein kinase ROS [D2033N](Homo sapiens (Human))
Array BioPharma Inc.

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2639ST6US Patent
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2348Q87PubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2348Q87PubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2348Q87PubMed
TargetNT-3 growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2377DMNPubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2377DMNPubMed
TargetBDNF/NT-3 growth factors receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2377DMNPubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of wild-type TrKA (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetBDNF/NT-3 growth factors receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of wild-type TrKB (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetNT-3 growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of wild-type TrKC (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Inhibition of TrKA G595R mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
Affinity DataIC50: 9.80nMAssay Description:Inhibition of TrKA G667C mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetNT-3 growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetALK tyrosine kinase receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetProto-oncogene tyrosine-protein kinase ROS(Homo sapiens (Human))
Array BioPharma Inc.

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))TBA
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))TBA
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))TBA
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27W6H3KPubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
Affinity DataIC50: 5.80nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21Z48CBPubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
Affinity DataIC50: 7.60nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21Z48CBPubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
Affinity DataIC50: 9.30nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2TC5PubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
Affinity DataIC50: 7.60nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2TC5PubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
Affinity DataIC50: 13nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2TC5PubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
Affinity DataIC50: 5.5nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2TC5PubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2Z323JHPubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KP868WPubMed
TargetNT-3 growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
Affinity DataIC50: 2.40nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KP868WPubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
Affinity DataIC50: 300nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KP868WPubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
Affinity DataIC50: 2.10nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KP868WPubMed
TargetProto-oncogene tyrosine-protein kinase ROS [L2026M](Homo sapiens (Human))
Array BioPharma Inc.

US Patent
LigandPNGBDBM50507492(Loxo-195 | Selitrectinib | US10966985, Compound 33...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2KH0RC3US Patent