BDBM479341 (3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5]decan-8-yl)-6- (((6aS,8R)-8-(methoxymethyl)- 6a,7,8,9-tetrahydro-6H-pyrido[3,2-b]pyrrolo[1,2- d][1,4]oxazin-4-yl)thio)pyrazin-2-yl)methanol::US10894797, Compound 30

SMILES: COC[C@@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1

InChI Key: InChIKey=BQSWGKBMQOWIJV-DDOIHHOZSA-N

Data: 1 IC50

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 2 hits for monomerid = 479341   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
SH2B adapter protein 2 (Human)	BDBM479341 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...) Show SMILES COC[C@@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r| Show InChI InChI=1S/C26H36N6O4S/c1-16-23(27)26(15-36-16)4-7-31(8-5-26)24-19(12-33)30-21(10-29-24)37-20-3-6-28-25-22(20)35-14-18-9-17(13-34-2)11-32(18)25/h3,6,10,16-18,23,33H,4-5,7-9,11-15,27H2,1-2H3/t16-,17+,18-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 2C (Homo sapiens (Human))	BDBM479341 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...) Show SMILES COC[C@@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r| Show InChI InChI=1S/C26H36N6O4S/c1-16-23(27)26(15-36-16)4-7-31(8-5-26)24-19(12-33)30-21(10-29-24)37-20-3-6-28-25-22(20)35-14-18-9-17(13-34-2)11-32(18)25/h3,6,10,16-18,23,33H,4-5,7-9,11-15,27H2,1-2H3/t16-,17+,18-,23+/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/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/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