BDBM50188776 4-(2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl)phenylsulfamic acid::CHEMBL379000::{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-3-OXOPROPYL]PHENYL}SULFAMIC ACID

SMILES: COC(=O)C(Cc1ccccc1)(Cc1ccc(NS(O)(=O)=O)cc1)C(=O)OC

InChI Key: InChIKey=SUACYXRSGYYBGT-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50188776   

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
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188776 (4-(2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopro...) Show SMILES COC(=O)C(Cc1ccccc1)(Cc1ccc(NS(O)(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein phosphatase alpha (Homo sapiens (Human))	BDBM50188776 (4-(2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopro...) Show SMILES COC(=O)C(Cc1ccccc1)(Cc1ccc(NS(O)(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition HPTPA				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50188776 (4-(2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopro...) Show SMILES COC(=O)C(Cc1ccccc1)(Cc1ccc(NS(O)(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50188776 (4-(2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopro...) Show SMILES COC(=O)C(Cc1ccccc1)(Cc1ccc(NS(O)(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of TCPTP				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair