BDBM50433191 CHEMBL2375454

SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)NCCCCCC(O)=O

InChI Key: InChIKey=NFXOUCBIFVXFBL-CJFHBESXSA-N

Data: 1 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 1 hit for monomerid = 50433191   

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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50433191 (CHEMBL2375454) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)NCCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C48H79NO14/c1-43(2)18-20-48(42(59)49-22-10-8-9-11-33(52)53)21-19-46(6)26(27(48)23-43)12-13-31-45(5)16-15-32(44(3,4)30(45)14-17-47(31,46)7)62-40-38(58)36(56)39(29(25-51)61-40)63-41-37(57)35(55)34(54)28(24-50)60-41/h12,27-32,34-41,50-51,54-58H,8-11,13-25H2,1-7H3,(H,49,59)(H,52,53)/t27-,28+,29+,30-,31+,32-,34-,35-,36+,37+,38+,39+,40-,41-,45-,46+,47+,48-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) expressed in Escherichia coli expression system using p-nitrophenyl phosphate as substrate assessed as release o...				Eur J Med Chem 63: 511-22 (2013) Article DOI: 10.1016/j.ejmech.2013.03.001 BindingDB Entry DOI: 10.7270/Q27S7Q59
					More data for this Ligand-Target Pair