null

SMILES: C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CCS(=O)(=O)CC5COc34)nc2CO)[C@@H]1N

InChI Key: InChIKey=FQXAGRFLFFENPB-VTBIZFIGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 479339   

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))	BDBM479339 (4-((5-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CCS(=O)(=O)CC5COc34)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C24H32N6O5S2/c1-15-21(25)24(14-35-15)3-6-29(7-4-24)22-17(11-31)28-19(10-27-22)36-18-2-5-26-23-20(18)34-12-16-13-37(32,33)9-8-30(16)23/h2,5,10,15-16,21,31H,3-4,6-9,11-14,25H2,1H3/t15-,16?,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	13	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)	BDBM479339 (4-((5-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CCS(=O)(=O)CC5COc34)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C24H32N6O5S2/c1-15-21(25)24(14-35-15)3-6-29(7-4-24)22-17(11-31)28-19(10-27-22)36-18-2-5-26-23-20(18)34-12-16-13-37(32,33)9-8-30(16)23/h2,5,10,15-16,21,31H,3-4,6-9,11-14,25H2,1H3/t15-,16?,21+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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)	BDBM479339 (4-((5-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CCS(=O)(=O)CC5COc34)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C24H32N6O5S2/c1-15-21(25)24(14-35-15)3-6-29(7-4-24)22-17(11-31)28-19(10-27-22)36-18-2-5-26-23-20(18)34-12-16-13-37(32,33)9-8-30(16)23/h2,5,10,15-16,21,31H,3-4,6-9,11-14,25H2,1H3/t15-,16?,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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