BDBM50530252 CHEMBL4475081

SMILES: C[C@@H]1OCC2(CCN(CC2)c2cnc3c(c[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N

InChI Key: InChIKey=SJLQMBIPYINRMF-HXPMCKFVSA-N

Data: 6 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 6 hits for monomerid = 50530252   

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)	BDBM50530252 (CHEMBL4475081) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(c[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C21H23Cl2N5O/c1-12-19(24)21(11-29-12)5-7-28(8-6-21)16-10-25-18-14(9-26-20(18)27-16)13-3-2-4-15(22)17(13)23/h2-4,9-10,12,19H,5-8,11,24H2,1H3,(H,26,27)/t12-,19+/m0/s1	PDB KEGG GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals 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 substrate preincubated for 30 ...				J Med Chem 62: 1781-1792 (2019) Article DOI: 10.1021/acs.jmedchem.8b01725
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens)	BDBM50530252 (CHEMBL4475081) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(c[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C21H23Cl2N5O/c1-12-19(24)21(11-29-12)5-7-28(8-6-21)16-10-25-18-14(9-26-20(18)27-16)13-3-2-4-15(22)17(13)23/h2-4,9-10,12,19H,5-8,11,24H2,1H3,(H,26,27)/t12-,19+/m0/s1	PDB KEGG GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	484	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay				J Med Chem 62: 1781-1792 (2019) Article DOI: 10.1021/acs.jmedchem.8b01725
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens)	BDBM50530252 (CHEMBL4475081) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(c[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C21H23Cl2N5O/c1-12-19(24)21(11-29-12)5-7-28(8-6-21)16-10-25-18-14(9-26-20(18)27-16)13-3-2-4-15(22)17(13)23/h2-4,9-10,12,19H,5-8,11,24H2,1H3,(H,26,27)/t12-,19+/m0/s1	PDB KEGG GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	484	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay				J Med Chem 62: 1781-1792 (2019) Article DOI: 10.1021/acs.jmedchem.8b01725
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens)	BDBM50530252 (CHEMBL4475081) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(c[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C21H23Cl2N5O/c1-12-19(24)21(11-29-12)5-7-28(8-6-21)16-10-25-18-14(9-26-20(18)27-16)13-3-2-4-15(22)17(13)23/h2-4,9-10,12,19H,5-8,11,24H2,1H3,(H,26,27)/t12-,19+/m0/s1	PDB KEGG GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals 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 substrate preincubated for 30 ...				J Med Chem 62: 1781-1792 (2019) Article DOI: 10.1021/acs.jmedchem.8b01725
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50530252 (CHEMBL4475081) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(c[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C21H23Cl2N5O/c1-12-19(24)21(11-29-12)5-7-28(8-6-21)16-10-25-18-14(9-26-20(18)27-16)13-3-2-4-15(22)17(13)23/h2-4,9-10,12,19H,5-8,11,24H2,1H3,(H,26,27)/t12-,19+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ERG by Q-patch assay				J Med Chem 62: 1781-1792 (2019) Article DOI: 10.1021/acs.jmedchem.8b01725
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50530252 (CHEMBL4475081) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(c[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C21H23Cl2N5O/c1-12-19(24)21(11-29-12)5-7-28(8-6-21)16-10-25-18-14(9-26-20(18)27-16)13-3-2-4-15(22)17(13)23/h2-4,9-10,12,19H,5-8,11,24H2,1H3,(H,26,27)/t12-,19+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ERG by Q-patch assay				J Med Chem 62: 1781-1792 (2019) Article DOI: 10.1021/acs.jmedchem.8b01725
					More data for this Ligand-Target Pair