BDBM50544436 CHEMBL4649291

SMILES: OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=HLHFFFSVWKXFHJ-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 8 hits for monomerid = 50544436   

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)	BDBM50544436 (CHEMBL4649291 | US11192850, Entry 4p) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H9F6NO3/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)2-1-10-3-5-14(6-4-10)25-15(26)16(27)28/h3-9H,(H,25,26)(H,27,28)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	60	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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens)	BDBM50544436 (CHEMBL4649291 | US11192850, Entry 4p) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H9F6NO3/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)2-1-10-3-5-14(6-4-10)25-15(26)16(27)28/h3-9H,(H,25,26)(H,27,28)	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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50544436 (CHEMBL4649291 | US11192850, Entry 4p) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H9F6NO3/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)2-1-10-3-5-14(6-4-10)25-15(26)16(27)28/h3-9H,(H,25,26)(H,27,28)	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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50544436 (CHEMBL4649291 | US11192850, Entry 4p) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H9F6NO3/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)2-1-10-3-5-14(6-4-10)25-15(26)16(27)28/h3-9H,(H,25,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Triple specificity protein phosphatase PtpB ()	BDBM50544436 (CHEMBL4649291 | US11192850, Entry 4p) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H9F6NO3/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)2-1-10-3-5-14(6-4-10)25-15(26)16(27)28/h3-9H,(H,25,26)(H,27,28)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 2C (Homo sapiens (Human))	BDBM50544436 (CHEMBL4649291 | US11192850, Entry 4p) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H9F6NO3/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)2-1-10-3-5-14(6-4-10)25-15(26)16(27)28/h3-9H,(H,25,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1C (Homo sapiens (Human))	BDBM50544436 (CHEMBL4649291 | US11192850, Entry 4p) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H9F6NO3/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)2-1-10-3-5-14(6-4-10)25-15(26)16(27)28/h3-9H,(H,25,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1C (Homo sapiens (Human))	BDBM50544436 (CHEMBL4649291 | US11192850, Entry 4p) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H9F6NO3/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)2-1-10-3-5-14(6-4-10)25-15(26)16(27)28/h3-9H,(H,25,26)(H,27,28)	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