BDBM479354 (3S,4S)-8-(5-(((6aS,8S)-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)-3-methyl-2-oxa-8- azaspiro[4.5]decan-4-amine::US10894797, Compound 43

SMILES: COC[C@H]1C[C@H]2COc3c(Sc4cnc(cn4)N4CCC5(CO[C@@H](C)[C@H]5N)CC4)ccnc3N2C1

InChI Key: InChIKey=WFRALCQQPKDCIU-DWKCODDLSA-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 = 479354   

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)	BDBM479354 ((3S,4S)-8-(5-(((6aS,8S)-8-(methoxymethyl)-6a,7,8,9...) Show SMILES COC[C@H]1C[C@H]2COc3c(Sc4cnc(cn4)N4CCC5(CO[C@@H](C)[C@H]5N)CC4)ccnc3N2C1 |r| Show InChI InChI=1S/C25H34N6O3S/c1-16-23(26)25(15-34-16)4-7-30(8-5-25)20-10-29-21(11-28-20)35-19-3-6-27-24-22(19)33-14-18-9-17(13-32-2)12-31(18)24/h3,6,10-11,16-18,23H,4-5,7-9,12-15,26H2,1-2H3/t16-,17-,18-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479354 ((3S,4S)-8-(5-(((6aS,8S)-8-(methoxymethyl)-6a,7,8,9...) Show SMILES COC[C@H]1C[C@H]2COc3c(Sc4cnc(cn4)N4CCC5(CO[C@@H](C)[C@H]5N)CC4)ccnc3N2C1 |r| Show InChI InChI=1S/C25H34N6O3S/c1-16-23(26)25(15-34-16)4-7-30(8-5-25)20-10-29-21(11-28-20)35-19-3-6-27-24-22(19)33-14-18-9-17(13-32-2)12-31(18)24/h3,6,10-11,16-18,23H,4-5,7-9,12-15,26H2,1-2H3/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	4.5	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