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SMILES: Cc1nc(SC2CCCC2)cnc1N1CCC2(Cc3ccccc3[C@H]2N)CC1

InChI Key: InChIKey=QJAFRXYJVMIJRZ-OAQYLSRUSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 484998   
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)		BDBM484998
PNG
(Syntheses of (3S)-1′-[5-(cyclopentylsulfanyl...)
Show SMILES Cc1nc(SC2CCCC2)cnc1N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r|
Show InChI InChI=1S/C23H30N4S/c1-16-22(25-15-20(26-16)28-18-7-3-4-8-18)27-12-10-23(11-13-27)14-17-6-2-5-9-19(17)21(23)24/h2,5-6,9,15,18,21H,3-4,7-8,10-14,24H2,1H3/t21-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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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