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PubMed code 17489579

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens (Human))		BDBM50212333
PNG
(5-[3'-(1-adamantyl)-2-chloro-4'-hydroxy-4-biphenyl...)
Show SMILES Oc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(cc1Cl)-c1nnn[nH]1 |TLB:6:7:10:14.13.12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7|
Show InChI InChI=1S/C23H23ClN4O/c24-20-9-17(22-25-27-28-26-22)1-3-18(20)16-2-4-21(29)19(8-16)23-10-13-5-14(11-23)7-15(6-13)12-23/h1-4,8-9,13-15,29H,5-7,10-12H2,(H,25,26,27,28)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of CD45 PTP by fluorescence spectrometry

J Med Chem 50: 2622-39 (2007)


Article DOI: 10.1021/jm0613323
BindingDB Entry DOI: 10.7270/Q2XS5V3H
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50212333
PNG
(5-[3'-(1-adamantyl)-2-chloro-4'-hydroxy-4-biphenyl...)
Show SMILES Oc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(cc1Cl)-c1nnn[nH]1 |TLB:6:7:10:14.13.12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7|
Show InChI InChI=1S/C23H23ClN4O/c24-20-9-17(22-25-27-28-26-22)1-3-18(20)16-2-4-21(29)19(8-16)23-10-13-5-14(11-23)7-15(6-13)12-23/h1-4,8-9,13-15,29H,5-7,10-12H2,(H,25,26,27,28)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of SHP2 PTP by fluorescence spectroscopy

J Med Chem 50: 2622-39 (2007)


Article DOI: 10.1021/jm0613323
BindingDB Entry DOI: 10.7270/Q2XS5V3H
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50212331
PNG
(5-[1-(3'-adamantan-1-yl-2-chloro-4'-hydroxy-biphen...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |w:7.8,t:1,TLB:20:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C26H24ClNO3S/c27-21-8-14(9-23-24(30)28-25(31)32-23)1-3-19(21)18-2-4-22(29)20(10-18)26-11-15-5-16(12-26)7-17(6-15)13-26/h1-4,8-10,15-17,29H,5-7,11-13H2,(H,28,30,31)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of SHP2 PTP by fluorescence spectroscopy

J Med Chem 50: 2622-39 (2007)


Article DOI: 10.1021/jm0613323
BindingDB Entry DOI: 10.7270/Q2XS5V3H
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens (Human))		BDBM50212331
PNG
(5-[1-(3'-adamantan-1-yl-2-chloro-4'-hydroxy-biphen...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |w:7.8,t:1,TLB:20:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C26H24ClNO3S/c27-21-8-14(9-23-24(30)28-25(31)32-23)1-3-19(21)18-2-4-22(29)20(10-18)26-11-15-5-16(12-26)7-17(6-15)13-26/h1-4,8-10,15-17,29H,5-7,11-13H2,(H,28,30,31)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Burnham Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of CD45 PTP by fluorescence spectrometry

J Med Chem 50: 2622-39 (2007)


Article DOI: 10.1021/jm0613323
BindingDB Entry DOI: 10.7270/Q2XS5V3H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%