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BDBM50433193 CHEMBL2375471

SMILES: COC(=O)CCCCCNC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)C(O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

InChI Key: InChIKey=BPFYPRSUPVAPCR-MVYQKTQWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433193   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50433193
PNG
(CHEMBL2375471)
Show SMILES COC(=O)CCCCCNC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)C(O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:21|
Show InChI InChI=1S/C43H69NO10/c1-38(2)19-21-43(37(51)44-23-11-9-10-12-30(45)52-8)22-20-41(6)25(26(43)24-38)13-14-28-40(5)17-16-29(39(3,4)27(40)15-18-42(28,41)7)53-36-33(48)31(46)32(47)34(54-36)35(49)50/h13,26-29,31-34,36,46-48H,9-12,14-24H2,1-8H3,(H,44,51)(H,49,50)/t26-,27-,28+,29-,31-,32-,33-,34-,36-,40-,41+,42+,43-/m0/s1
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PC cid
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UniChem

Similars
Article
PubMed
n/an/a 1.91E+3n/an/an/an/an/an/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