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SMILES: N[C@H]1c2ccccc2O[C@@]11CCN2[C@@H](COc3nc(Sc4ccnc(N)c4Cl)cnc23)C1

InChI Key: InChIKey=MMRVDGRTSIVOQM-RZVZBCHOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 484970   
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
SH2B adapter protein 2


(Human)		BDBM484970
PNG
(US10934302, Example 221)
Show SMILES N[C@H]1c2ccccc2O[C@@]11CCN2[C@@H](COc3nc(Sc4ccnc(N)c4Cl)cnc23)C1 |r|
Show InChI InChI=1S/C22H21ClN6O2S/c23-17-15(5-7-26-19(17)25)32-16-10-27-20-21(28-16)30-11-12-9-22(6-8-29(12)20)18(24)13-3-1-2-4-14(13)31-22/h1-5,7,10,12,18H,6,8-9,11,24H2,(H2,25,26)/t12-,18+,22-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



Relay Therapeutics, Inc.

US Patent


Assay Description
SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...

US Patent US10934302 (2021)


BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
More data for this
Ligand-Target Pair