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BDBM356061 (S or R)-N-(6-((2,3- dihydroxypropanamido)methyl)- 2-phenylpyridin-3-yl)-2-fluoro- 5-(1-methyl-1H-pyrazol-3-yl)-4- (trifluoromethyl)benzamide::US9815846, Compound 61::US9815846, Compound 62

SMILES: Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(CNC(=O)C(O)CO)nc2-c2ccccc2)c(F)cc1C(F)(F)F

InChI Key: InChIKey=YNIXJXCZVXVTOU-UHFFFAOYSA-N

Data: 2 IC50

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 = 356061   
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))
BDBM356061
PNG
((S or R)-N-(6-((2,3- dihydroxypropanamido)methyl)-...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(CNC(=O)C(O)CO)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H23F4N5O4/c1-36-10-9-21(35-36)17-11-18(20(28)12-19(17)27(29,30)31)25(39)34-22-8-7-16(13-32-26(40)23(38)14-37)33-24(22)15-5-3-2-4-6-15/h2-12,23,37-38H,13-14H2,1H3,(H,32,40)(H,34,39)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.790n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356061
PNG
((S or R)-N-(6-((2,3- dihydroxypropanamido)methyl)-...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(CNC(=O)C(O)CO)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H23F4N5O4/c1-36-10-9-21(35-36)17-11-18(20(28)12-19(17)27(29,30)31)25(39)34-22-8-7-16(13-32-26(40)23(38)14-37)33-24(22)15-5-3-2-4-6-15/h2-12,23,37-38H,13-14H2,1H3,(H,32,40)(H,34,39)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.640n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair