BDBM50087871 CHEMBL3426915

SMILES: [Na+].[Na+].[Na+].CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(=O)P(O)([O-])=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC([O-])=O)C(N)=O

InChI Key: InChIKey=WXFFQSYUPVJZQA-SIUMKNMOSA-K

Data: 2 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 2 hits for monomerid = 50087871   

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))	BDBM50087871 (CHEMBL3426915) Show SMILES [Na+].[Na+].[Na+].CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(=O)P(O)([O-])=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC([O-])=O)C(N)=O |r| Show InChI InChI=1S/C36H53N8O16P.3Na/c1-6-17(4)29(35(56)43-25(15-28(49)50)33(54)41-22(11-16(2)3)31(52)40-21(30(38)51)14-27(47)48)44-34(55)23(42-32(53)24(13-26(37)46)39-18(5)45)12-19-7-9-20(10-8-19)36(57)61(58,59)60;;;/h7-10,16-17,21-25,29H,6,11-15H2,1-5H3,(H2,37,46)(H2,38,51)(H,39,45)(H,40,52)(H,41,54)(H,42,53)(H,43,56)(H,44,55)(H,47,48)(H,49,50)(H2,58,59,60);;;/q;3*+1/p-3/t17-,21-,22-,23-,24-,25-,29-;;;/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 PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of PTP1B catalytic domain (1 to 321 amino acids) (unknown origin) expressed in Escherichia coli Rosetta (DE3) incubated for 30 mins follow...				Bioorg Med Chem 23: 2839-47 (2015) Article DOI: 10.1016/j.bmc.2015.03.074 BindingDB Entry DOI: 10.7270/Q2QN68H0
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50087871 (CHEMBL3426915) Show SMILES [Na+].[Na+].[Na+].CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(=O)P(O)([O-])=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC([O-])=O)C(N)=O |r| Show InChI InChI=1S/C36H53N8O16P.3Na/c1-6-17(4)29(35(56)43-25(15-28(49)50)33(54)41-22(11-16(2)3)31(52)40-21(30(38)51)14-27(47)48)44-34(55)23(42-32(53)24(13-26(37)46)39-18(5)45)12-19-7-9-20(10-8-19)36(57)61(58,59)60;;;/h7-10,16-17,21-25,29H,6,11-15H2,1-5H3,(H2,37,46)(H2,38,51)(H,39,45)(H,40,52)(H,41,54)(H,42,53)(H,43,56)(H,44,55)(H,47,48)(H,49,50)(H2,58,59,60);;;/q;3*+1/p-3/t17-,21-,22-,23-,24-,25-,29-;;;/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 PubMed	4.88E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of PTP1B catalytic domain (1 to 321 amino acids) (unknown origin) expressed in Escherichia coli Rosetta (DE3) incubated for 30 mins in abs...				Bioorg Med Chem 23: 2839-47 (2015) Article DOI: 10.1016/j.bmc.2015.03.074 BindingDB Entry DOI: 10.7270/Q2QN68H0
					More data for this Ligand-Target Pair