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SMILES: Fc1ccc(F)c(c1)[C@H]1C[C@@H](CN1c1ccn2ncc(C#N)c2n1)C#N

InChI Key: InChIKey=GUHRRWWDOFQWKH-BDJLRTHQSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 410188   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM410188
PNG
(5-((2R,4S)-4-cyano-2-(2,5-difluorophenyl)pyrrolidi...)
Show SMILES Fc1ccc(F)c(c1)[C@H]1C[C@@H](CN1c1ccn2ncc(C#N)c2n1)C#N |r|
Show InChI InChI=1S/C18H12F2N6/c19-13-1-2-15(20)14(6-13)16-5-11(7-21)10-25(16)17-3-4-26-18(24-17)12(8-22)9-23-26/h1-4,6,9,11,16H,5,10H2/t11-,16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM410188
PNG
(5-((2R,4S)-4-cyano-2-(2,5-difluorophenyl)pyrrolidi...)
Show SMILES Fc1ccc(F)c(c1)[C@H]1C[C@@H](CN1c1ccn2ncc(C#N)c2n1)C#N |r|
Show InChI InChI=1S/C18H12F2N6/c19-13-1-2-15(20)14(6-13)16-5-11(7-21)10-25(16)17-3-4-26-18(24-17)12(8-22)9-23-26/h1-4,6,9,11,16H,5,10H2/t11-,16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...


US Patent US10370379 (2019)


BindingDB Entry DOI: 10.7270/Q2TM7DG5
More data for this
Ligand-Target Pair