BindingDB logo
myBDB logout

null

SMILES: CO[C@H]1CC2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1

InChI Key: InChIKey=AZCZIDVDHVGBES-DDULNEESSA-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 = 479316   
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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM479316
PNG
((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...)
Show SMILES CO[C@H]1CC2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
Show InChI InChI=1S/C25H34N6O4S/c1-15-22(26)25(14-35-15)4-7-30(8-5-25)23-18(12-32)29-20(10-28-23)36-19-3-6-27-24-21(19)34-13-16-9-17(33-2)11-31(16)24/h3,6,10,15-17,22,32H,4-5,7-9,11-14,26H2,1-2H3/t15-,16?,17-,22+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/an/an/a



Nikang Therapeutics, Inc.

US Patent


Assay Description
SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...

US Patent US10894797 (2021)

More data for this
Ligand-Target Pair