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SMILES: N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(SC2CC2)cn1

InChI Key: InChIKey=JVJOEQRDPRRCAE-LJQANCHMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 484990   
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)		BDBM484990
PNG
(US10934302, Example 241)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(SC2CC2)cn1 |r|
Show InChI InChI=1S/C20H24N4S/c21-19-16-4-2-1-3-14(16)11-20(19)7-9-24(10-8-20)17-12-23-18(13-22-17)25-15-5-6-15/h1-4,12-13,15,19H,5-11,21H2/t19-/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