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SMILES: C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)OC3CCOC3)nc2CO)[C@@H]1N

InChI Key: InChIKey=JNXHZAMNUTXZFA-JFTKOSENSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 479323   

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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479323 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azasprio[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)OC3CCOC3)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C28H38N6O5S/c1-17-25(29)28(16-38-17)4-7-33(8-5-28)26-21(13-35)32-23(11-31-26)40-22-2-6-30-27-24(22)37-14-18-10-20(12-34(18)27)39-19-3-9-36-15-19/h2,6,11,17-20,25,35H,3-5,7-10,12-16,29H2,1H3/t17-,18-,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	12	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) BindingDB Entry DOI: 10.7270/Q2222XV2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479323 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azasprio[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)OC3CCOC3)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C28H38N6O5S/c1-17-25(29)28(16-38-17)4-7-33(8-5-28)26-21(13-35)32-23(11-31-26)40-22-2-6-30-27-24(22)37-14-18-10-20(12-34(18)27)39-19-3-9-36-15-19/h2,6,11,17-20,25,35H,3-5,7-10,12-16,29H2,1H3/t17-,18-,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	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2028VS0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens)	BDBM479323 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azasprio[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)OC3CCOC3)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C28H38N6O5S/c1-17-25(29)28(16-38-17)4-7-33(8-5-28)26-21(13-35)32-23(11-31-26)40-22-2-6-30-27-24(22)37-14-18-10-20(12-34(18)27)39-19-3-9-36-15-19/h2,6,11,17-20,25,35H,3-5,7-10,12-16,29H2,1H3/t17-,18-,19?,20-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The phosphatase reactions were carried out at room temperature in 384-well black polystyrene plates (Greiner Bio-One, Cat #784076) using assay buffer...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6J2V
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM479323 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azasprio[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)OC3CCOC3)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C28H38N6O5S/c1-17-25(29)28(16-38-17)4-7-33(8-5-28)26-21(13-35)32-23(11-31-26)40-22-2-6-30-27-24(22)37-14-18-10-20(12-34(18)27)39-19-3-9-36-15-19/h2,6,11,17-20,25,35H,3-5,7-10,12-16,29H2,1H3/t17-,18-,19?,20-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The phosphatase reactions were carried out at room temperature in 384-well black polystyrene plates (Greiner Bio-One, Cat #784076) using assay buffer...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W7X
					More data for this Ligand-Target Pair