BDBM50530241 CHEMBL4546245

SMILES: C[C@@H]1OCC2(CCN(CC2)c2cc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N

InChI Key: InChIKey=JNFUSVZQNYVQSF-YVEFUNNKSA-N

Data: 2 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 = 50530241   

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)	BDBM50530241 (CHEMBL4546245) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C21H26F3N5O2S/c1-12-17(26)20(11-31-12)5-8-29(9-6-20)15-10-13(25)16(19(30)28(15)2)32-14-4-3-7-27-18(14)21(22,23)24/h3-4,7,10,12,17H,5-6,8-9,11,25-26H2,1-2H3/t12-,17+/m0/s1	PDB KEGG GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	429	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as surrogate substrate as preincu...				J Med Chem 62: 1793-1802 (2019) Article DOI: 10.1021/acs.jmedchem.8b01726
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens)	BDBM50530241 (CHEMBL4546245) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C21H26F3N5O2S/c1-12-17(26)20(11-31-12)5-8-29(9-6-20)15-10-13(25)16(19(30)28(15)2)32-14-4-3-7-27-18(14)21(22,23)24/h3-4,7,10,12,17H,5-6,8-9,11,25-26H2,1-2H3/t12-,17+/m0/s1	PDB KEGG GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	429	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as surrogate substrate as preincu...				J Med Chem 62: 1793-1802 (2019) Article DOI: 10.1021/acs.jmedchem.8b01726
					More data for this Ligand-Target Pair