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Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'goldfarb' and Initial = 'v'   
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
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50192462
PNG
((S)-2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-hydroxy...)
Show SMILES O[C@H](C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2O5/c23-17-9-3-1-6-14(17)12-28-19-11-5-8-16(20(25)22(26)27)21(19)29-13-15-7-2-4-10-18(15)24/h1-11,20,25H,12-13H2,(H,26,27)/t20-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ap2


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50192463
PNG
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)acetic acid | ...)
Show SMILES OC(=O)Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2O4/c23-18-9-3-1-6-16(18)13-27-20-11-5-8-15(12-21(25)26)22(20)28-14-17-7-2-4-10-19(17)24/h1-11H,12-14H2,(H,25,26)
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50192465
PNG
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-methoxyacet...)
Show SMILES COC(C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27)
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50192463
PNG
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)acetic acid | ...)
Show SMILES OC(=O)Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2O4/c23-18-9-3-1-6-16(18)13-27-20-11-5-8-15(12-21(25)26)22(20)28-14-17-7-2-4-10-19(17)24/h1-11H,12-14H2,(H,25,26)
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ap2


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50192462
PNG
((S)-2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-hydroxy...)
Show SMILES O[C@H](C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2O5/c23-17-9-3-1-6-14(17)12-28-19-11-5-8-16(20(25)22(26)27)21(19)29-13-15-7-2-4-10-18(15)24/h1-11,20,25H,12-13H2,(H,26,27)/t20-/m0/s1
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33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50192465
PNG
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-methoxyacet...)
Show SMILES COC(C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27)
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50n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ap2


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50192464
PNG
(1-(2,3-bis(2-chlorobenzyloxy)phenyl)ethane-1,2-dio...)
Show SMILES OCC(O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2O4/c23-18-9-3-1-6-15(18)13-27-21-11-5-8-17(20(26)12-25)22(21)28-14-16-7-2-4-10-19(16)24/h1-11,20,25-26H,12-14H2
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ap2


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50192464
PNG
(1-(2,3-bis(2-chlorobenzyloxy)phenyl)ethane-1,2-dio...)
Show SMILES OCC(O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2O4/c23-18-9-3-1-6-15(18)13-27-21-11-5-8-17(20(26)12-25)22(21)28-14-16-7-2-4-10-19(16)24/h1-11,20,25-26H,12-14H2
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355636
PNG
(CHEMBL1403981)
Show SMILES OC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)
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2.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50199036
PNG
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)C(=O)c1ccc2ncccc2c1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C30H21Cl2N5O3/c1-35-29(40)37(24-13-22(31)12-23(32)14-24)28(39)30(35)17-36(16-25(30)19-6-4-18(15-33)5-7-19)27(38)21-8-9-26-20(11-21)3-2-10-34-26/h2-14,25H,16-17H2,1H3/t25-,30+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50199031
PNG
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2ccc3ncccc3c2)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C30H23Cl2N5O2/c1-35-29(39)37(25-13-23(31)12-24(32)14-25)28(38)30(35)18-36(17-26(30)21-7-4-19(15-33)5-8-21)16-20-6-9-27-22(11-20)3-2-10-34-27/h2-14,26H,16-18H2,1H3/t26-,30+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50199037
PNG
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CNCC1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H16Cl2N4O2/c1-25-19(28)26(16-7-14(21)6-15(22)8-16)18(27)20(25)11-24-10-17(20)13-4-2-12(9-23)3-5-13/h2-8,17,24H,10-11H2,1H3/t17?,20-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30185
PNG
(CHEMBL226403 | Pyrrolopyridine, 16)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
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n/an/a 8.5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2 expressed in Escherichia coli BL21(DE3) after 60 mins


J Med Chem 51: 6225-9 (2008)


Article DOI: 10.1021/jm800747w
BindingDB Entry DOI: 10.7270/Q2JM29GJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50199030
PNG
(4-[(5S,9R)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)S(=O)(=O)c1ccc(cc1)C(O)=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H20Cl2N4O6S/c1-31-26(37)33(21-11-19(28)10-20(29)12-21)25(36)27(31)15-32(14-23(27)17-4-2-16(13-30)3-5-17)40(38,39)22-8-6-18(7-9-22)24(34)35/h2-12,23H,14-15H2,1H3,(H,34,35)/t23-,27+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50199035
PNG
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-7-isobutyl-1-me...)
Show SMILES CC(C)CN1C[C@@H](c2ccc(cc2)C#N)[C@@]2(C1)N(C)C(=O)N(C2=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H24Cl2N4O2/c1-15(2)12-29-13-21(17-6-4-16(11-27)5-7-17)24(14-29)22(31)30(23(32)28(24)3)20-9-18(25)8-19(26)10-20/h4-10,15,21H,12-14H2,1-3H3/t21-,24+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50199039
PNG
(4-[(5S,9R)-7-benzyl-3-(3,5-dichloro-phenyl)-1-meth...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2ccccc2)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H22Cl2N4O2/c1-31-26(35)33(23-12-21(28)11-22(29)13-23)25(34)27(31)17-32(15-19-5-3-2-4-6-19)16-24(27)20-9-7-18(14-30)8-10-20/h2-13,24H,15-17H2,1H3/t24-,27+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50199033
PNG
(5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2cc(cs2)C(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50199033
PNG
(5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2cc(cs2)C(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50199038
PNG
(4-[(5S,9R)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(CCCC(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H22Cl2N4O4/c1-28-23(34)30(19-10-17(25)9-18(26)11-19)22(33)24(28)14-29(8-2-3-21(31)32)13-20(24)16-6-4-15(12-27)5-7-16/h4-7,9-11,20H,2-3,8,13-14H2,1H3,(H,31,32)/t20-,24+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50253633
PNG
(2-(2-styrylpyridin-4-yl)-6,7-dihydro-1H-pyrrolo[3,...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(\C=C\c2ccccc2)c1
Show InChI InChI=1S/C20H17N3O/c24-20-17-13-19(23-18(17)9-11-22-20)15-8-10-21-16(12-15)7-6-14-4-2-1-3-5-14/h1-8,10,12-13,23H,9,11H2,(H,22,24)/b7-6+
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n/an/a 49n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2 expressed in Escherichia coli BL21(DE3) after 60 mins


J Med Chem 51: 6225-9 (2008)


Article DOI: 10.1021/jm800747w
BindingDB Entry DOI: 10.7270/Q2JM29GJ
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50199032
PNG
(4-[(5S,9R)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)C(=O)CCC(O)=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H20Cl2N4O5/c1-28-23(35)30(18-9-16(25)8-17(26)10-18)22(34)24(28)13-29(20(31)6-7-21(32)33)12-19(24)15-4-2-14(11-27)3-5-15/h2-5,8-10,19H,6-7,12-13H2,1H3,(H,32,33)/t19-,24+/m0/s1
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n/an/a 164n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50199034
PNG
(5-[(5R,9S)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...)
Show SMILES CN1C(=O)N(C(=O)[C@@]11CN(Cc2cc(cs2)C(O)=O)C[C@@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355649
PNG
(CHEMBL1910889)
Show SMILES COc1ccc(cc1C(O)=O)S(=O)(=O)NC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2NO6S3/c1-29-16-5-3-12(9-13(16)20(25)26)32(27,28)23-19(24)18-17(6-7-30-18)31-10-11-2-4-14(21)15(22)8-11/h2-9H,10H2,1H3,(H,23,24)(H,25,26)
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n/an/a 500n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355641
PNG
(CHEMBL1910968)
Show SMILES NCC(=O)Nc1cccc(c1)C#Cc1ccc(C(O)=O)c(SCc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H18Cl2N2O3S/c25-20-9-7-17(11-21(20)26)14-32-22-12-16(6-8-19(22)24(30)31)5-4-15-2-1-3-18(10-15)28-23(29)13-27/h1-3,6-12H,13-14,27H2,(H,28,29)(H,30,31)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355636
PNG
(CHEMBL1403981)
Show SMILES OC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355636
PNG
(CHEMBL1403981)
Show SMILES OC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50355634
PNG
(CHEMBL1910967)
Show SMILES Nc1cccc(c1)C#Cc1ccc(C(O)=O)c(SCc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C22H15Cl2NO2S/c23-19-9-7-16(11-20(19)24)13-28-21-12-15(6-8-18(21)22(26)27)5-4-14-2-1-3-17(25)10-14/h1-3,6-12H,13,25H2,(H,26,27)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CD45 expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated ...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50355633
PNG
(CHEMBL1910969)
Show SMILES OC(=O)c1ccc(cc1SCc1ccc(Cl)c(Cl)c1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C22H13Cl3O2S/c23-17-3-1-2-14(10-17)4-5-15-6-8-18(22(26)27)21(12-15)28-13-16-7-9-19(24)20(25)11-16/h1-3,6-12H,13H2,(H,26,27)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CD45 expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated ...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355643
PNG
(CHEMBL1910886)
Show SMILES CS(=O)(=O)NC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H11Cl2NO3S3/c1-22(18,19)16-13(17)12-11(4-5-20-12)21-7-8-2-3-9(14)10(15)6-8/h2-6H,7H2,1H3,(H,16,17)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355638
PNG
(CHEMBL1910887)
Show SMILES Clc1ccc(CSc2ccsc2C(=O)NS(=O)(=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C18H13Cl2NO3S3/c19-14-7-6-12(10-15(14)20)11-26-16-8-9-25-17(16)18(22)21-27(23,24)13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355635
PNG
(CHEMBL1910882)
Show SMILES OC(=O)c1sccc1SCc1ccc(Br)c(Br)c1
Show InChI InChI=1S/C12H8Br2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355642
PNG
(CHEMBL1910888)
Show SMILES Nc1cccc(c1)S(=O)(=O)NC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl2N2O3S3/c19-14-5-4-11(8-15(14)20)10-27-16-6-7-26-17(16)18(23)22-28(24,25)13-3-1-2-12(21)9-13/h1-9H,10,21H2,(H,22,23)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355650
PNG
(CHEMBL1910966)
Show SMILES OCCC#Cc1ccc(C(O)=O)c(SCc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C18H14Cl2O3S/c19-15-7-5-13(9-16(15)20)11-24-17-10-12(3-1-2-8-21)4-6-14(17)18(22)23/h4-7,9-10,21H,2,8,11H2,(H,22,23)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355646
PNG
(CHEMBL1910962)
Show SMILES COC(=O)c1cc(ccc1OC)S(=O)(=O)NC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H17Cl2NO6S3/c1-29-17-6-4-13(10-14(17)21(26)30-2)33(27,28)24-20(25)19-18(7-8-31-19)32-11-12-3-5-15(22)16(23)9-12/h3-10H,11H2,1-2H3,(H,24,25)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355634
PNG
(CHEMBL1910967)
Show SMILES Nc1cccc(c1)C#Cc1ccc(C(O)=O)c(SCc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C22H15Cl2NO2S/c23-19-9-7-16(11-20(19)24)13-28-21-12-15(6-8-18(21)22(26)27)5-4-14-2-1-3-17(25)10-14/h1-3,6-12H,13,25H2,(H,26,27)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355652
PNG
(CHEMBL1910963)
Show SMILES OC(=O)c1ccccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H10Cl2O2S/c15-11-6-5-9(7-12(11)16)8-19-13-4-2-1-3-10(13)14(17)18/h1-7H,8H2,(H,17,18)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355644
PNG
(CHEMBL1910965)
Show SMILES OC(=O)c1ccc(Br)cc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H9BrCl2O2S/c15-9-2-3-10(14(18)19)13(6-9)20-7-8-1-4-11(16)12(17)5-8/h1-6H,7H2,(H,18,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
N-acylneuraminate-9-phosphatase


(Homo sapiens (Human))
BDBM50436923
PNG
(CHEMBL2402022)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C12H22NO11P/c1-5(14)13-8-7(16)4-12(20,11(18)19)24-10(8)9(17)6(15)2-3-25(21,22)23/h6-10,15-17,20H,2-4H2,1H3,(H,13,14)(H,18,19)(H2,21,22,23)/t6-,7+,8-,9-,10-,12+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant HDHD4 (unknown origin) using Neu5Ac-9-P as substrate assessed as release of phosphate after 30 mins by maiachite...


Bioorg Med Chem Lett 23: 4107-11 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.052
BindingDB Entry DOI: 10.7270/Q2TB1897
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355636
PNG
(CHEMBL1403981)
Show SMILES OC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)
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n/an/a 1.28E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide by FRET ...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50355638
PNG
(CHEMBL1910887)
Show SMILES Clc1ccc(CSc2ccsc2C(=O)NS(=O)(=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C18H13Cl2NO3S3/c19-14-7-6-12(10-15(14)20)11-26-16-8-9-25-17(16)18(22)21-27(23,24)13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CD45 expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated ...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50355639
PNG
(CHEMBL1910879)
Show SMILES OC(=O)c1sccc1SCc1cccc(Cl)c1Cl
Show InChI InChI=1S/C12H8Cl2O2S2/c13-8-3-1-2-7(10(8)14)6-18-9-4-5-17-11(9)12(15)16/h1-5H,6H2,(H,15,16)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50355646
PNG
(CHEMBL1910962)
Show SMILES COC(=O)c1cc(ccc1OC)S(=O)(=O)NC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H17Cl2NO6S3/c1-29-17-6-4-13(10-14(17)21(26)30-2)33(27,28)24-20(25)19-18(7-8-31-19)32-11-12-3-5-15(22)16(23)9-12/h3-10H,11H2,1-2H3,(H,24,25)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CD45 expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated ...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50355642
PNG
(CHEMBL1910888)
Show SMILES Nc1cccc(c1)S(=O)(=O)NC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl2N2O3S3/c19-14-5-4-11(8-15(14)20)10-27-16-6-7-26-17(16)18(23)22-28(24,25)13-3-1-2-12(21)9-13/h1-9H,10,21H2,(H,22,23)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50355644
PNG
(CHEMBL1910965)
Show SMILES OC(=O)c1ccc(Br)cc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H9BrCl2O2S/c15-9-2-3-10(14(18)19)13(6-9)20-7-8-1-4-11(16)12(17)5-8/h1-6H,7H2,(H,18,19)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CD45 expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated ...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50355639
PNG
(CHEMBL1910879)
Show SMILES OC(=O)c1sccc1SCc1cccc(Cl)c1Cl
Show InChI InChI=1S/C12H8Cl2O2S2/c13-8-3-1-2-7(10(8)14)6-18-9-4-5-17-11(9)12(15)16/h1-5H,6H2,(H,15,16)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CD45 expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated ...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50355638
PNG
(CHEMBL1910887)
Show SMILES Clc1ccc(CSc2ccsc2C(=O)NS(=O)(=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C18H13Cl2NO3S3/c19-14-7-6-12(10-15(14)20)11-26-16-8-9-25-17(16)18(22)21-27(23,24)13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
N-acylneuraminate-9-phosphatase


(Homo sapiens (Human))
BDBM50436926
PNG
(CHEMBL2402114)
Show SMILES CO[C@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C13H24NO11P/c1-6(15)14-9-8(17)5-13(24-2,12(19)20)25-11(9)10(18)7(16)3-4-26(21,22)23/h7-11,16-18H,3-5H2,1-2H3,(H,14,15)(H,19,20)(H2,21,22,23)/t7-,8+,9-,10-,11-,13+/m1/s1
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n/an/a 4.98E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDHD4 (unknown origin) using Neu5Ac-9-P as substrate assessed as release of phosphate after 30 mins by maiachite green assa...


Bioorg Med Chem Lett 23: 4107-11 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.052
BindingDB Entry DOI: 10.7270/Q2TB1897
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50355647
PNG
(CHEMBL1910876)
Show SMILES OC(=O)c1sccc1SCc1ccccc1
Show InChI InChI=1S/C12H10O2S2/c13-12(14)11-10(6-7-15-11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CD45 expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated ...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50355635
PNG
(CHEMBL1910882)
Show SMILES OC(=O)c1sccc1SCc1ccc(Br)c(Br)c1
Show InChI InChI=1S/C12H8Br2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)
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n/an/a 6.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CD45 expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated ...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50355650
PNG
(CHEMBL1910966)
Show SMILES OCCC#Cc1ccc(C(O)=O)c(SCc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C18H14Cl2O3S/c19-15-7-5-13(9-16(15)20)11-24-17-10-12(3-1-2-8-21)4-6-14(17)18(22)23/h4-7,9-10,21H,2,8,11H2,(H,22,23)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CD45 expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated ...


J Med Chem 54: 6548-62 (2011)


Article DOI: 10.1021/jm2003766
BindingDB Entry DOI: 10.7270/Q2862GTG
More data for this
Ligand-Target Pair
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