BDBM50544435 CHEMBL4649843

SMILES: OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C#N

InChI Key: InChIKey=DREKYVXEUFPNQZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50544435   

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
Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis)	BDBM50544435 (CHEMBL4649843) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C#N Show InChI InChI=1S/C17H10N2O3/c18-11-14-5-3-12(4-6-14)1-2-13-7-9-15(10-8-13)19-16(20)17(21)22/h3-10H,(H,19,20)(H,21,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...				J Med Chem 63: 9212-9227 (2020)
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1C (Homo sapiens (Human))	BDBM50544435 (CHEMBL4649843) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C#N Show InChI InChI=1S/C17H10N2O3/c18-11-14-5-3-12(4-6-14)1-2-13-7-9-15(10-8-13)19-16(20)17(21)22/h3-10H,(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of SHP1 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis sp...				J Med Chem 63: 9212-9227 (2020)
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50544435 (CHEMBL4649843) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C#N Show InChI InChI=1S/C17H10N2O3/c18-11-14-5-3-12(4-6-14)1-2-13-7-9-15(10-8-13)19-16(20)17(21)22/h3-10H,(H,19,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis s...				J Med Chem 63: 9212-9227 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens)	BDBM50544435 (CHEMBL4649843) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C#N Show InChI InChI=1S/C17H10N2O3/c18-11-14-5-3-12(4-6-14)1-2-13-7-9-15(10-8-13)19-16(20)17(21)22/h3-10H,(H,19,20)(H,21,22)	PDB KEGG GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis sp...				J Med Chem 63: 9212-9227 (2020)
					More data for this Ligand-Target Pair