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SMILES: Cc1ccccc1CC(NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O

InChI Key: InChIKey=UDOBAJKNMKKVRZ-XJVQAEGPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50487811   
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))
BDBM50487811
PNG
(CHEMBL2262831)
Show SMILES Cc1ccccc1CC(NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:23|
Show InChI InChI=1S/C41H61NO4/c1-26-11-9-10-12-27(26)23-30(35(45)46)42-34(44)25-41-21-19-36(2,3)24-29(41)28-13-14-32-38(6)17-16-33(43)37(4,5)31(38)15-18-40(32,8)39(28,7)20-22-41/h9-13,29-33,43H,14-25H2,1-8H3,(H,42,44)(H,45,46)/t29-,30?,31-,32+,33-,38-,39+,40+,41+/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 550n/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))
BDBM50487811
PNG
(CHEMBL2262831)
Show SMILES Cc1ccccc1CC(NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:23|
Show InChI InChI=1S/C41H61NO4/c1-26-11-9-10-12-27(26)23-30(35(45)46)42-34(44)25-41-21-19-36(2,3)24-29(41)28-13-14-32-38(6)17-16-33(43)37(4,5)31(38)15-18-40(32,8)39(28,7)20-22-41/h9-13,29-33,43H,14-25H2,1-8H3,(H,42,44)(H,45,46)/t29-,30?,31-,32+,33-,38-,39+,40+,41+/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 550n/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