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SMILES: CNC(=O)c1cc(F)cc(c1)[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1

InChI Key: InChIKey=GANQIESHYOHLTP-JKSUJKDBSA-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 = 410203   
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))
BDBM410203
PNG
(US10370379, Compound 20 | US11059827, Compound 20)
Show SMILES CNC(=O)c1cc(F)cc(c1)[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r|
Show InChI InChI=1S/C19H16F2N6O/c1-23-19(28)12-4-11(5-14(20)6-12)16-7-15(21)10-26(16)17-2-3-27-18(25-17)13(8-22)9-24-27/h2-6,9,15-16H,7,10H2,1H3,(H,23,28)/t15-,16+/m0/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))
BDBM410203
PNG
(US10370379, Compound 20 | US11059827, Compound 20)
Show SMILES CNC(=O)c1cc(F)cc(c1)[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r|
Show InChI InChI=1S/C19H16F2N6O/c1-23-19(28)12-4-11(5-14(20)6-12)16-7-15(21)10-26(16)17-2-3-27-18(25-17)13(8-22)9-24-27/h2-6,9,15-16H,7,10H2,1H3,(H,23,28)/t15-,16+/m0/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