BDBM479327 (3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5]decan-8-yl)-6-(((6aS,8S)- 8-(cyclopropylmethoxy)-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 16

SMILES: C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)OCC3CC3)nc2CO)[C@@H]1N

InChI Key: InChIKey=XVLBIZWRRODPHP-YMGHSFPGSA-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 = 479327   

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)	BDBM479327 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)OCC3CC3)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C28H38N6O4S/c1-17-25(29)28(16-38-17)5-8-33(9-6-28)26-21(13-35)32-23(11-31-26)39-22-4-7-30-27-24(22)37-15-19-10-20(12-34(19)27)36-14-18-2-3-18/h4,7,11,17-20,25,35H,2-3,5-6,8-10,12-16,29H2,1H3/t17-,19-,20-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	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))	BDBM479327 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)OCC3CC3)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C28H38N6O4S/c1-17-25(29)28(16-38-17)5-8-33(9-6-28)26-21(13-35)32-23(11-31-26)39-22-4-7-30-27-24(22)37-15-19-10-20(12-34(19)27)36-14-18-2-3-18/h4,7,11,17-20,25,35H,2-3,5-6,8-10,12-16,29H2,1H3/t17-,19-,20-,25+/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	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