BDBM50093523 CHEMBL3585679::PTP1B spring 6 (6)

SMILES: OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1

InChI Key: InChIKey=VBLCSEMPFRLYCH-UHFFFAOYSA-N

Data: 2 KI  5 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 6 hits for monomerid = 50093523   

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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50093523 (CHEMBL3585679 | PTP1B spring 6 (6)) Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		1.45E+4	-6.86	1.32E+4	n/a	n/a	n/a	n/a	6.0	37
Catholic University of Daegu					Assay Description In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...				Bioorg Chem 72: 273-281 (2017) BindingDB Entry DOI: 10.7270/Q2ZP450S
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50093523 (CHEMBL3585679 | PTP1B spring 6 (6)) Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50093523 (CHEMBL3585679 | PTP1B spring 6 (6)) Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50093523 (CHEMBL3585679 | PTP1B spring 6 (6)) Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase (2 and 3) (Homo sapiens (Human))	BDBM50093523 (CHEMBL3585679 | PTP1B spring 6 (6)) Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP3 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50093523 (CHEMBL3585679 | PTP1B spring 6 (6)) Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair