BindingDB logo
myBDB logout

null

SMILES: Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)nc1Sc1ccnc(N)c1Cl

InChI Key: InChIKey=FHILEKIPNKVNDC-HXUWFJFHSA-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 1 hit for monomerid = 484964   
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)		BDBM484964
PNG
(US10934302, Example 215)
Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)nc1Sc1ccnc(N)c1Cl |r|
Show InChI InChI=1S/C24H27ClN6S/c1-14-22(29-15(2)23(30-14)32-18-7-10-28-21(27)19(18)25)31-11-8-24(9-12-31)13-16-5-3-4-6-17(16)20(24)26/h3-7,10,20H,8-9,11-13,26H2,1-2H3,(H2,27,28)/t20-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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