BDBM50530245 CHEMBL4539145::US10975080, Example 15

SMILES: Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1

InChI Key: InChIKey=UFDJDSLGPDGBBZ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50530245   

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)	BDBM50530245 (CHEMBL4539145 | US10975080, Example 15) Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6O/c1-19(10-22)6-8-27(9-7-19)18-23-16-13(17(28)26(18)2)15(24-25-16)11-4-3-5-12(20)14(11)21/h3-5H,6-10,22H2,1-2H3,(H,24,25)	PDB KEGG GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	355	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50530245 (CHEMBL4539145 | US10975080, Example 15) Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6O/c1-19(10-22)6-8-27(9-7-19)18-23-16-13(17(28)26(18)2)15(24-25-16)11-4-3-5-12(20)14(11)21/h3-5H,6-10,22H2,1-2H3,(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens)	BDBM50530245 (CHEMBL4539145 | US10975080, Example 15) Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6O/c1-19(10-22)6-8-27(9-7-19)18-23-16-13(17(28)26(18)2)15(24-25-16)11-4-3-5-12(20)14(11)21/h3-5H,6-10,22H2,1-2H3,(H,24,25)	PDB KEGG GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	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
Protein-tyrosine phosphatase 2C (Homo sapiens (Human))	BDBM50530245 (CHEMBL4539145 | US10975080, Example 15) Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6O/c1-19(10-22)6-8-27(9-7-19)18-23-16-13(17(28)26(18)2)15(24-25-16)11-4-3-5-12(20)14(11)21/h3-5H,6-10,22H2,1-2H3,(H,24,25)	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	34	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10975080 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens)	BDBM50530245 (CHEMBL4539145 | US10975080, Example 15) Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6O/c1-19(10-22)6-8-27(9-7-19)18-23-16-13(17(28)26(18)2)15(24-25-16)11-4-3-5-12(20)14(11)21/h3-5H,6-10,22H2,1-2H3,(H,24,25)	PDB KEGG GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	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)	BDBM50530245 (CHEMBL4539145 | US10975080, Example 15) Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6O/c1-19(10-22)6-8-27(9-7-19)18-23-16-13(17(28)26(18)2)15(24-25-16)11-4-3-5-12(20)14(11)21/h3-5H,6-10,22H2,1-2H3,(H,24,25)	PDB KEGG GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	355	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50530245 (CHEMBL4539145 | US10975080, Example 15) Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6O/c1-19(10-22)6-8-27(9-7-19)18-23-16-13(17(28)26(18)2)15(24-25-16)11-4-3-5-12(20)14(11)21/h3-5H,6-10,22H2,1-2H3,(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	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