BDBM50132465 5-{(S)-2-((S)-2-tert-Butoxycarbonylamino-3-phenyl-propionylamino)-2-[4-(2-methoxycarbonyl-3-hydroxy-phenoxy)-butylcarbamoyl]-ethyl}-2-(1-carboxy-ethoxy)-benzoic acid::CHEMBL107729

SMILES: COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=UPBOZIZTMJKSPS-HMCKCBAOSA-N

Data: 8 KI

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 = 50132465   

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))	BDBM50132465 (5-{(S)-2-((S)-2-tert-Butoxycarbonylamino-3-phenyl-...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C39H47N3O13/c1-23(35(46)47)54-30-17-16-25(20-26(30)36(48)49)22-27(33(44)40-18-9-10-19-53-31-15-11-14-29(43)32(31)37(50)52-5)41-34(45)28(21-24-12-7-6-8-13-24)42-38(51)55-39(2,3)4/h6-8,11-17,20,23,27-28,43H,9-10,18-19,21-22H2,1-5H3,(H,40,44)(H,41,45)(H,42,51)(H,46,47)(H,48,49)/t23?,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein-tyrosine phosphatase 1B (PTP1B)				Bioorg Med Chem Lett 13: 3129-32 (2003) BindingDB Entry DOI: 10.7270/Q24B30QV
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50132465 (5-{(S)-2-((S)-2-tert-Butoxycarbonylamino-3-phenyl-...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C39H47N3O13/c1-23(35(46)47)54-30-17-16-25(20-26(30)36(48)49)22-27(33(44)40-18-9-10-19-53-31-15-11-14-29(43)32(31)37(50)52-5)41-34(45)28(21-24-12-7-6-8-13-24)42-38(51)55-39(2,3)4/h6-8,11-17,20,23,27-28,43H,9-10,18-19,21-22H2,1-5H3,(H,40,44)(H,41,45)(H,42,51)(H,46,47)(H,48,49)/t23?,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9365-7 BindingDB Entry DOI: 10.7270/Q25D8VRJ
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50132465 (5-{(S)-2-((S)-2-tert-Butoxycarbonylamino-3-phenyl-...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C39H47N3O13/c1-23(35(46)47)54-30-17-16-25(20-26(30)36(48)49)22-27(33(44)40-18-9-10-19-53-31-15-11-14-29(43)32(31)37(50)52-5)41-34(45)28(21-24-12-7-6-8-13-24)42-38(51)55-39(2,3)4/h6-8,11-17,20,23,27-28,43H,9-10,18-19,21-22H2,1-5H3,(H,40,44)(H,41,45)(H,42,51)(H,46,47)(H,48,49)/t23?,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9365-7 BindingDB Entry DOI: 10.7270/Q25D8VRJ
					More data for this Ligand-Target Pair				3D Structure (docked)
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM50132465 (5-{(S)-2-((S)-2-tert-Butoxycarbonylamino-3-phenyl-...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C39H47N3O13/c1-23(35(46)47)54-30-17-16-25(20-26(30)36(48)49)22-27(33(44)40-18-9-10-19-53-31-15-11-14-29(43)32(31)37(50)52-5)41-34(45)28(21-24-12-7-6-8-13-24)42-38(51)55-39(2,3)4/h6-8,11-17,20,23,27-28,43H,9-10,18-19,21-22H2,1-5H3,(H,40,44)(H,41,45)(H,42,51)(H,46,47)(H,48,49)/t23?,27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of T-cell Protein Tyrosine Phosphatase (TCPTP)				Bioorg Med Chem Lett 13: 3129-32 (2003) BindingDB Entry DOI: 10.7270/Q24B30QV
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR) (Homo sapiens (Human))	BDBM50132465 (5-{(S)-2-((S)-2-tert-Butoxycarbonylamino-3-phenyl-...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C39H47N3O13/c1-23(35(46)47)54-30-17-16-25(20-26(30)36(48)49)22-27(33(44)40-18-9-10-19-53-31-15-11-14-29(43)32(31)37(50)52-5)41-34(45)28(21-24-12-7-6-8-13-24)42-38(51)55-39(2,3)4/h6-8,11-17,20,23,27-28,43H,9-10,18-19,21-22H2,1-5H3,(H,40,44)(H,41,45)(H,42,51)(H,46,47)(H,48,49)/t23?,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory potency of the compound against LAR				Bioorg Med Chem Lett 13: 3129-32 (2003) BindingDB Entry DOI: 10.7270/Q24B30QV
					More data for this Ligand-Target Pair
Leukocyte common antigen (Homo sapiens (Human))	BDBM50132465 (5-{(S)-2-((S)-2-tert-Butoxycarbonylamino-3-phenyl-...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C39H47N3O13/c1-23(35(46)47)54-30-17-16-25(20-26(30)36(48)49)22-27(33(44)40-18-9-10-19-53-31-15-11-14-29(43)32(31)37(50)52-5)41-34(45)28(21-24-12-7-6-8-13-24)42-38(51)55-39(2,3)4/h6-8,11-17,20,23,27-28,43H,9-10,18-19,21-22H2,1-5H3,(H,40,44)(H,41,45)(H,42,51)(H,46,47)(H,48,49)/t23?,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory potency against CD45 Phosphatase				Bioorg Med Chem Lett 13: 3129-32 (2003) BindingDB Entry DOI: 10.7270/Q24B30QV
					More data for this Ligand-Target Pair
Cdc25C (Homo sapiens (Human))	BDBM50132465 (5-{(S)-2-((S)-2-tert-Butoxycarbonylamino-3-phenyl-...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C39H47N3O13/c1-23(35(46)47)54-30-17-16-25(20-26(30)36(48)49)22-27(33(44)40-18-9-10-19-53-31-15-11-14-29(43)32(31)37(50)52-5)41-34(45)28(21-24-12-7-6-8-13-24)42-38(51)55-39(2,3)4/h6-8,11-17,20,23,27-28,43H,9-10,18-19,21-22H2,1-5H3,(H,40,44)(H,41,45)(H,42,51)(H,46,47)(H,48,49)/t23?,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory potency of the compound against Cell division cycle 25 degree C				Bioorg Med Chem Lett 13: 3129-32 (2003) BindingDB Entry DOI: 10.7270/Q24B30QV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50132465 (5-{(S)-2-((S)-2-tert-Butoxycarbonylamino-3-phenyl-...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C)C(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C39H47N3O13/c1-23(35(46)47)54-30-17-16-25(20-26(30)36(48)49)22-27(33(44)40-18-9-10-19-53-31-15-11-14-29(43)32(31)37(50)52-5)41-34(45)28(21-24-12-7-6-8-13-24)42-38(51)55-39(2,3)4/h6-8,11-17,20,23,27-28,43H,9-10,18-19,21-22H2,1-5H3,(H,40,44)(H,41,45)(H,42,51)(H,46,47)(H,48,49)/t23?,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory potency of the compound against Tyrosine phosphatase SHP2				Bioorg Med Chem Lett 13: 3129-32 (2003) BindingDB Entry DOI: 10.7270/Q24B30QV
					More data for this Ligand-Target Pair