BDBM374727 (7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrahydro-1,15-ethenopyrazolo[4,3- f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)- one::US10246466, Example 93::US10618912, Example 93::US11291667, Compound 1

SMILES C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23

InChI Key InChIKey=FIKPXCOQUIZNHB-WDEREUQCSA-N

Data  44 IC50  4 Kd

PDB links: 2 PDB IDs match this monomer.

  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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 374727   

TargetTyrosine-protein kinase JAK2(Human)
Tp Therapeutics

US Patent
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataKd:  0.0820nMAssay Description:Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  7.90nMAssay Description:Inhibition of ALK G1202R mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetTyrosine-protein kinase JAK2(Human)
Tp Therapeutics

US Patent
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataKd:  0.0820nMAssay Description:Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataKd:  5.70nMAssay Description:Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of TRKA G595R mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetProto-oncogene tyrosine-protein kinase ROS(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  8.40nMAssay Description:Inhibition of ROS1 G2032R mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProto-oncogene tyrosine-protein kinase Src(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  5.30nMAssay Description:Inhibition of SRC (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProto-oncogene tyrosine-protein kinase Src(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  107nMAssay Description:Inhibition of SRC phosphorylation (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of ALK L1196M (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  13nMAssay Description:Inhibition of EML4/ALK phosphorylation (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  1nMAssay Description:Inhibition of ALK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  1.30nMAssay Description:Inhibition of ALK G1202R (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  64nMAssay Description:Inhibition of EML4/ALK G1202R mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as antiproliferative activity after 72 hrs by Cell Tite...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetFocal adhesion kinase 1(Human)
Turning Point Therapeutics

US Patent
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  6.96nMAssay Description:The kinase inhibition IC50 was determined at Reaction Biology Corporation (www.reactionbiology.com, Malvern, Pa.) following the procedures described ...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetProto-oncogene tyrosine-protein kinase Src(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  5.29nMAssay Description:The kinase inhibition IC50 was determined at Reaction Biology Corporation (www.reactionbiology.com, Malvern, Pa.) following the procedures described ...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetTyrosine-protein kinase JAK2(Human)
Tp Therapeutics

US Patent
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  1.04nMAssay Description:The kinase inhibition IC50 was determined at Reaction Biology Corporation (www.reactionbiology.com, Malvern, Pa.) following the procedures described ...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  4.5nMAssay Description:Inhibition of ALK G1202R mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  6.10nMAssay 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 ArticlePubMedPDB3D3D Structure (crystal)

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  1.40nMAssay 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 ArticlePubMedPDB3D3D Structure (crystal)

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  1.70nMAssay 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 ArticlePubMedPDB3D3D Structure (crystal)

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  0.830nMAssay Description:Inhibition of human TRKA using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human wild type ALK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein kinase JAK2(Human)
Tp Therapeutics

US Patent
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  2.5nMAssay Description:Inhibition of TrKA (unknown origin) incubated for 120 mins in presence of 33P-ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  1.40nMAssay 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 ArticlePubMedPDB3D3D Structure (crystal)

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  8.70nMAssay 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 ArticlePubMedPDB3D3D Structure (crystal)

TargetNT-3 growth factor receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  0.0100nMAssay 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(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  2.30nMAssay 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(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  0.170nMAssay 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(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
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(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  6.40E+3nMAssay 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(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  1.23E+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(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  2.85E+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(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
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

TargetBDNF/NT-3 growth factors receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  0.0500nMAssay Description:Inhibition of human TRKB using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNT-3 growth factor receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  0.100nMAssay Description:Inhibition of human TRKC using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProto-oncogene tyrosine-protein kinase ROS(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  0.0700nMAssay Description:Inhibition of human ROS1 using KKKSPGEYVNIEFG as substrate in presence of ATP by radiometric HotSpot kinase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  6.10nMAssay 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 PubMedPDB3D3D Structure (crystal)

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  1.40nMAssay 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 PubMedPDB3D3D Structure (crystal)

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  1.70nMAssay 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 PubMedPDB3D3D Structure (crystal)

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  1.40nMAssay 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 PubMedPDB3D3D Structure (crystal)

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  0.480nMAssay Description:Inhibition of wild type TRKA (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMedPDB3D3D Structure (crystal)

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of TRKA G595R mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMedPDB3D3D Structure (crystal)

TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  3.30nMAssay Description:Inhibition of ALK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  0.110nMAssay 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 ArticlePubMedPDB3D3D Structure (crystal)

TargetHigh affinity nerve growth factor receptor(Human)
University of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50: <1nMAssay Description:Compound was evaluated for its binding affinity against NS3 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataIC50:  2.60nMAssay Description:Inhibition of wild type ALK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Affinity DataKd:  5.70nMAssay Description:Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...More data for this Ligand-Target Pair
In DepthDetails US Patent