BDBM50544420 CHEMBL4635310

SMILES: OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccccc1

InChI Key: InChIKey=GILWTVLGHCFELD-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 = 50544420   

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)	BDBM50544420 (CHEMBL4635310) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C16H11NO3/c18-15(16(19)20)17-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	257	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))	BDBM50544420 (CHEMBL4635310) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C16H11NO3/c18-15(16(19)20)17-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H,17,18)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	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))	BDBM50544420 (CHEMBL4635310) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C16H11NO3/c18-15(16(19)20)17-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H,17,18)(H,19,20)	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	>1.00E+5	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)	BDBM50544420 (CHEMBL4635310) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C16H11NO3/c18-15(16(19)20)17-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H,17,18)(H,19,20)	PDB KEGG GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	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