null

SMILES: COCOC[C@H]1C[C@H]2COc3c(Sc4ncc(nc4N)N4CCC5(Cc6ncccc6[C@H]5N)CC4)ccnc3N2C1

InChI Key: InChIKey=VOHJNJREZGGBHF-XHNVNVPESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 479358   

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))	BDBM479358 ((S)-1'-(6-amino-5-(((6aS,8S)-8-((methoxy- methoxy)...) Show SMILES COCOC[C@H]1C[C@H]2COc3c(Sc4ncc(nc4N)N4CCC5(Cc6ncccc6[C@H]5N)CC4)ccnc3N2C1 |r| Show InChI InChI=1S/C29H36N8O3S/c1-38-17-39-15-18-11-19-16-40-24-22(4-8-33-27(24)37(19)14-18)41-28-26(31)35-23(13-34-28)36-9-5-29(6-10-36)12-21-20(25(29)30)3-2-7-32-21/h2-4,7-8,13,18-19,25H,5-6,9-12,14-17,30H2,1H3,(H2,31,35)/t18-,19-,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	8.40	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)	BDBM479358 ((S)-1'-(6-amino-5-(((6aS,8S)-8-((methoxy- methoxy)...) Show SMILES COCOC[C@H]1C[C@H]2COc3c(Sc4ncc(nc4N)N4CCC5(Cc6ncccc6[C@H]5N)CC4)ccnc3N2C1 |r| Show InChI InChI=1S/C29H36N8O3S/c1-38-17-39-15-18-11-19-16-40-24-22(4-8-33-27(24)37(19)14-18)41-28-26(31)35-23(13-34-28)36-9-5-29(6-10-36)12-21-20(25(29)30)3-2-7-32-21/h2-4,7-8,13,18-19,25H,5-6,9-12,14-17,30H2,1H3,(H2,31,35)/t18-,19-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40	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)	BDBM479358 ((S)-1'-(6-amino-5-(((6aS,8S)-8-((methoxy- methoxy)...) Show SMILES COCOC[C@H]1C[C@H]2COc3c(Sc4ncc(nc4N)N4CCC5(Cc6ncccc6[C@H]5N)CC4)ccnc3N2C1 |r| Show InChI InChI=1S/C29H36N8O3S/c1-38-17-39-15-18-11-19-16-40-24-22(4-8-33-27(24)37(19)14-18)41-28-26(31)35-23(13-34-28)36-9-5-29(6-10-36)12-21-20(25(29)30)3-2-7-32-21/h2-4,7-8,13,18-19,25H,5-6,9-12,14-17,30H2,1H3,(H2,31,35)/t18-,19-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40	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