BDBM50466482 CHEMBL4282817

SMILES: Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1

InChI Key: InChIKey=OUIDNXRNIUBSAA-OPEKNORGSA-N

Data: 1 KI  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 7 hits for monomerid = 50466482   

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
Probable low molecular weight protein-tyrosine-phosphatase (Mycobacterium tuberculosis)	BDBM50466482 (CHEMBL4282817) Show SMILES Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15ClF3N3OS/c1-12-2-5-14(6-3-12)26-19(29)27-25-11-15-7-9-18(28-15)16-10-13(20(22,23)24)4-8-17(16)21/h2-11H,1H3,(H2,26,27,29)/b25-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate by Michaelis-Menten plot analysis				Bioorg Med Chem 26: 5742-5750 (2018) Article DOI: 10.1016/j.bmc.2018.10.030 BindingDB Entry DOI: 10.7270/Q26T0QBX
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50466482 (CHEMBL4282817) Show SMILES Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15ClF3N3OS/c1-12-2-5-14(6-3-12)26-19(29)27-25-11-15-7-9-18(28-15)16-10-13(20(22,23)24)4-8-17(16)21/h2-11H,1H3,(H2,26,27,29)/b25-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of recombinant human Ptp1B using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured...				Bioorg Med Chem 26: 5742-5750 (2018) Article DOI: 10.1016/j.bmc.2018.10.030 BindingDB Entry DOI: 10.7270/Q26T0QBX
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM50466482 (CHEMBL4282817) Show SMILES Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15ClF3N3OS/c1-12-2-5-14(6-3-12)26-19(29)27-25-11-15-7-9-18(28-15)16-10-13(20(22,23)24)4-8-17(16)21/h2-11H,1H3,(H2,26,27,29)/b25-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of recombinant human LYP using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured e...				Bioorg Med Chem 26: 5742-5750 (2018) Article DOI: 10.1016/j.bmc.2018.10.030 BindingDB Entry DOI: 10.7270/Q26T0QBX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12 (PTP-PEST) (Homo sapiens (Human))	BDBM50466482 (CHEMBL4282817) Show SMILES Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15ClF3N3OS/c1-12-2-5-14(6-3-12)26-19(29)27-25-11-15-7-9-18(28-15)16-10-13(20(22,23)24)4-8-17(16)21/h2-11H,1H3,(H2,26,27,29)/b25-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP-PEST using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measu...				Bioorg Med Chem 26: 5742-5750 (2018) Article DOI: 10.1016/j.bmc.2018.10.030 BindingDB Entry DOI: 10.7270/Q26T0QBX
					More data for this Ligand-Target Pair
Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis)	BDBM50466482 (CHEMBL4282817) Show SMILES Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15ClF3N3OS/c1-12-2-5-14(6-3-12)26-19(29)27-25-11-15-7-9-18(28-15)16-10-13(20(22,23)24)4-8-17(16)21/h2-11H,1H3,(H2,26,27,29)/b25-11+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...				Bioorg Med Chem 26: 5742-5750 (2018) Article DOI: 10.1016/j.bmc.2018.10.030 BindingDB Entry DOI: 10.7270/Q26T0QBX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase yopH (Yersinia enterocolitica)	BDBM50466482 (CHEMBL4282817) Show SMILES Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15ClF3N3OS/c1-12-2-5-14(6-3-12)26-19(29)27-25-11-15-7-9-18(28-15)16-10-13(20(22,23)24)4-8-17(16)21/h2-11H,1H3,(H2,26,27,29)/b25-11+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of recombinant Yersinia enterocolitica YopH using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addi...				Bioorg Med Chem 26: 5742-5750 (2018) Article DOI: 10.1016/j.bmc.2018.10.030 BindingDB Entry DOI: 10.7270/Q26T0QBX
					More data for this Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase (Mycobacterium tuberculosis)	BDBM50466482 (CHEMBL4282817) Show SMILES Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15ClF3N3OS/c1-12-2-5-14(6-3-12)26-19(29)27-25-11-15-7-9-18(28-15)16-10-13(20(22,23)24)4-8-17(16)21/h2-11H,1H3,(H2,26,27,29)/b25-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...				Bioorg Med Chem 26: 5742-5750 (2018) Article DOI: 10.1016/j.bmc.2018.10.030 BindingDB Entry DOI: 10.7270/Q26T0QBX
					More data for this Ligand-Target Pair