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SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCCCCCCCCCCCCC(O)=O

InChI Key: InChIKey=PJAWTUFCVKGYOD-ZVAGFZNZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50487804   
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))
BDBM50487804
PNG
(CHEMBL2262838)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCCCCCCCCCCCCC(O)=O |r,c:10|
Show InChI InChI=1S/C43H72O5/c1-38(2)25-27-43(37(47)48-29-17-15-13-11-9-8-10-12-14-16-18-36(45)46)28-26-41(6)31(32(43)30-38)19-20-34-40(5)23-22-35(44)39(3,4)33(40)21-24-42(34,41)7/h19,32-35,44H,8-18,20-30H2,1-7H3,(H,45,46)/t32-,33-,34+,35-,40-,41+,42+,43-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 590n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PTP1B (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9529-5
BindingDB Entry DOI: 10.7270/Q2F76GFZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50487804
PNG
(CHEMBL2262838)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCCCCCCCCCCCCC(O)=O |r,c:10|
Show InChI InChI=1S/C43H72O5/c1-38(2)25-27-43(37(47)48-29-17-15-13-11-9-8-10-12-14-16-18-36(45)46)28-26-41(6)31(32(43)30-38)19-20-34-40(5)23-22-35(44)39(3,4)33(40)21-24-42(34,41)7/h19,32-35,44H,8-18,20-30H2,1-7H3,(H,45,46)/t32-,33-,34+,35-,40-,41+,42+,43-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 590n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PTP1B (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9529-5
BindingDB Entry DOI: 10.7270/Q2F76GFZ
More data for this
Ligand-Target Pair