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SMILES: F[C@H]1C[C@@H](N(C1)c1ccn2ncc(C#N)c2n1)c1cc(F)cc(c1)C(=O)NCC1CC1

InChI Key: InChIKey=BODWRZMHRIBSBB-RBUKOAKNSA-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 = 410202   
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))
BDBM410202
PNG
(US10370379, Compound 19 | US11059827, Compound 19)
Show SMILES F[C@H]1C[C@@H](N(C1)c1ccn2ncc(C#N)c2n1)c1cc(F)cc(c1)C(=O)NCC1CC1 |r|
Show InChI InChI=1S/C22H20F2N6O/c23-17-6-14(5-15(7-17)22(31)26-10-13-1-2-13)19-8-18(24)12-29(19)20-3-4-30-21(28-20)16(9-25)11-27-30/h3-7,11,13,18-19H,1-2,8,10,12H2,(H,26,31)/t18-,19+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/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))
BDBM410202
PNG
(US10370379, Compound 19 | US11059827, Compound 19)
Show SMILES F[C@H]1C[C@@H](N(C1)c1ccn2ncc(C#N)c2n1)c1cc(F)cc(c1)C(=O)NCC1CC1 |r|
Show InChI InChI=1S/C22H20F2N6O/c23-17-6-14(5-15(7-17)22(31)26-10-13-1-2-13)19-8-18(24)12-29(19)20-3-4-30-21(28-20)16(9-25)11-27-30/h3-7,11,13,18-19H,1-2,8,10,12H2,(H,26,31)/t18-,19+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/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