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BDBM50246620 3-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl)propanoic acid::CHEMBL472400

SMILES: CC1(C)CC[C@]2(CCC(O)=O)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

InChI Key: InChIKey=KKGDPZQHHLJWTH-RHIXFSJMSA-N

Data: 6 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 6 hits for monomerid = 50246620   
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
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50246620
PNG
(3-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy...)
Show SMILES CC1(C)CC[C@]2(CCC(O)=O)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 |r,c:15|
Show InChI InChI=1S/C32H52O3/c1-27(2)16-18-32(15-12-26(34)35)19-17-30(6)21(22(32)20-27)8-9-24-29(5)13-11-25(33)28(3,4)23(29)10-14-31(24,30)7/h8,22-25,33H,9-20H2,1-7H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32+/m0/s1
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Article
PubMed
n/an/a 2.74E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SHP1


Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM50246620
PNG
(3-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy...)
Show SMILES CC1(C)CC[C@]2(CCC(O)=O)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 |r,c:15|
Show InChI InChI=1S/C32H52O3/c1-27(2)16-18-32(15-12-26(34)35)19-17-30(6)21(22(32)20-27)8-9-24-29(5)13-11-25(33)28(3,4)23(29)10-14-31(24,30)7/h8,22-25,33H,9-20H2,1-7H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32+/m0/s1
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Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LAR


Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50246620
PNG
(3-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy...)
Show SMILES CC1(C)CC[C@]2(CCC(O)=O)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 |r,c:15|
Show InChI InChI=1S/C32H52O3/c1-27(2)16-18-32(15-12-26(34)35)19-17-30(6)21(22(32)20-27)8-9-24-29(5)13-11-25(33)28(3,4)23(29)10-14-31(24,30)7/h8,22-25,33H,9-20H2,1-7H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32+/m0/s1
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PC sid
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Article
PubMed
n/an/a 2.77E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin) by pNPP assay


Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon (PTPε)


(Homo sapiens (Human))
BDBM50246620
PNG
(3-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy...)
Show SMILES CC1(C)CC[C@]2(CCC(O)=O)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 |r,c:15|
Show InChI InChI=1S/C32H52O3/c1-27(2)16-18-32(15-12-26(34)35)19-17-30(6)21(22(32)20-27)8-9-24-29(5)13-11-25(33)28(3,4)23(29)10-14-31(24,30)7/h8,22-25,33H,9-20H2,1-7H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPepsilon


Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50246620
PNG
(3-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy...)
Show SMILES CC1(C)CC[C@]2(CCC(O)=O)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 |r,c:15|
Show InChI InChI=1S/C32H52O3/c1-27(2)16-18-32(15-12-26(34)35)19-17-30(6)21(22(32)20-27)8-9-24-29(5)13-11-25(33)28(3,4)23(29)10-14-31(24,30)7/h8,22-25,33H,9-20H2,1-7H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32+/m0/s1
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PC sid
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Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) by pNPP assay


Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase alpha


(Homo sapiens (Human))
BDBM50246620
PNG
(3-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy...)
Show SMILES CC1(C)CC[C@]2(CCC(O)=O)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 |r,c:15|
Show InChI InChI=1S/C32H52O3/c1-27(2)16-18-32(15-12-26(34)35)19-17-30(6)21(22(32)20-27)8-9-24-29(5)13-11-25(33)28(3,4)23(29)10-14-31(24,30)7/h8,22-25,33H,9-20H2,1-7H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPalpha


Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair