null

SMILES: COC[C@H]1C[C@H]2COc3c(Sc4ncc(nc4N)N4CCC5(CO[C@@H](C)[C@H]5N)CC4)ccnc3N2C1

InChI Key: InChIKey=PVRKROKBYOCJNE-NWZZKEMCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 479356   

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))	BDBM479356 ((3S,4S)-8-(6-amino-5-(((6aS,8S)-8-(methoxymethyl)-...) Show SMILES COC[C@H]1C[C@H]2COc3c(Sc4ncc(nc4N)N4CCC5(CO[C@@H](C)[C@H]5N)CC4)ccnc3N2C1 |r| Show InChI InChI=1S/C25H35N7O3S/c1-15-21(26)25(14-35-15)4-7-31(8-5-25)19-10-29-24(22(27)30-19)36-18-3-6-28-23-20(18)34-13-17-9-16(12-33-2)11-32(17)23/h3,6,10,15-17,21H,4-5,7-9,11-14,26H2,1-2H3,(H2,27,30)/t15-,16-,17-,21+/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	9.40	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)	BDBM479356 ((3S,4S)-8-(6-amino-5-(((6aS,8S)-8-(methoxymethyl)-...) Show SMILES COC[C@H]1C[C@H]2COc3c(Sc4ncc(nc4N)N4CCC5(CO[C@@H](C)[C@H]5N)CC4)ccnc3N2C1 |r| Show InChI InChI=1S/C25H35N7O3S/c1-15-21(26)25(14-35-15)4-7-31(8-5-25)19-10-29-24(22(27)30-19)36-18-3-6-28-23-20(18)34-13-17-9-16(12-33-2)11-32(17)23/h3,6,10,15-17,21H,4-5,7-9,11-14,26H2,1-2H3,(H2,27,30)/t15-,16-,17-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.40	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)	BDBM479356 ((3S,4S)-8-(6-amino-5-(((6aS,8S)-8-(methoxymethyl)-...) Show SMILES COC[C@H]1C[C@H]2COc3c(Sc4ncc(nc4N)N4CCC5(CO[C@@H](C)[C@H]5N)CC4)ccnc3N2C1 |r| Show InChI InChI=1S/C25H35N7O3S/c1-15-21(26)25(14-35-15)4-7-31(8-5-25)19-10-29-24(22(27)30-19)36-18-3-6-28-23-20(18)34-13-17-9-16(12-33-2)11-32(17)23/h3,6,10,15-17,21H,4-5,7-9,11-14,26H2,1-2H3,(H2,27,30)/t15-,16-,17-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.40	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