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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'aisa' and Initial = 'ha'   
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 1B


(Homo sapiens (human))
BDBM50055236
PNG
(CHEMBL3317596)
Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2ccc(cc2)[N+]([O-])=O)c1C(=O)OCC
Show InChI InChI=1S/C17H17N3O6S/c1-3-25-16(21)12-13(17(22)26-4-2)15(27-14(12)18)19-9-10-5-7-11(8-6-10)20(23)24/h5-9H,3-4,18H2,1-2H3/b19-9+
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n/an/a 6.43E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins


Eur J Med Chem 84: 739-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.065
BindingDB Entry DOI: 10.7270/Q22Z176V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50008525
PNG
(CHEMBL3235604)
Show SMILES CC1=CC(C)(C)N=C2C[C@]3(C)C(=O)C(C)(C)N=C3C(C)=C12
Show InChI InChI=1S/C18H24N2O/c1-10-8-16(3,4)19-12-9-18(7)14(11(2)13(10)12)20-17(5,6)15(18)21/h8H,9H2,1-7H3/t18-/m0/s1
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n/an/a 6.44E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using nitrophenyl phosphate as substrate after 30 mins by spectrophotometry


J Nat Prod 77: 807-12 (2014)


Article DOI: 10.1021/np4009078
BindingDB Entry DOI: 10.7270/Q2WW7K61
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50055237
PNG
(CHEMBL3317599)
Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2ccc(Br)cc2)c1C(=O)OCC
Show InChI InChI=1S/C17H17BrN2O4S/c1-3-23-16(21)12-13(17(22)24-4-2)15(25-14(12)19)20-9-10-5-7-11(18)8-6-10/h5-9H,3-4,19H2,1-2H3/b20-9+
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n/an/a 6.54E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins


Eur J Med Chem 84: 739-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.065
BindingDB Entry DOI: 10.7270/Q22Z176V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50341989
PNG
(3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFUR...)
Show SMILES CCc1oc2cc(ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C26H19Br2N3O7S3/c1-2-21-23(24(32)14-11-19(27)25(33)20(28)12-14)18-8-7-17(13-22(18)38-21)41(36,37)30-15-3-5-16(6-4-15)40(34,35)31-26-29-9-10-39-26/h3-13,30,33H,2H2,1H3,(H,29,31)
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PubMed
n/an/a 6.81E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using nitrophenyl phosphate as substrate after 30 mins by spectrophotometry


J Nat Prod 77: 807-12 (2014)


Article DOI: 10.1021/np4009078
BindingDB Entry DOI: 10.7270/Q2WW7K61
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50055240
PNG
(CHEMBL3317604)
Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2ccc(o2)[N+]([O-])=O)c1C(=O)OCC
Show InChI InChI=1S/C15H15N3O7S/c1-3-23-14(19)10-11(15(20)24-4-2)13(26-12(10)16)17-7-8-5-6-9(25-8)18(21)22/h5-7H,3-4,16H2,1-2H3/b17-7+
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n/an/a 7.12E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins


Eur J Med Chem 84: 739-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.065
BindingDB Entry DOI: 10.7270/Q22Z176V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50055238
PNG
(CHEMBL3317602)
Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2ccc(cc2)N(C)C)c1C(=O)OCC
Show InChI InChI=1S/C19H23N3O4S/c1-5-25-18(23)14-15(19(24)26-6-2)17(27-16(14)20)21-11-12-7-9-13(10-8-12)22(3)4/h7-11H,5-6,20H2,1-4H3/b21-11+
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n/an/a 7.32E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins


Eur J Med Chem 84: 739-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.065
BindingDB Entry DOI: 10.7270/Q22Z176V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50008518
PNG
(CHEMBL3235602)
Show SMILES CC(C)C1=C2C=C3C(C)=CC(C)(C)N=C3C[C@@]2(C)CC1=O
Show InChI InChI=1S/C19H25NO/c1-11(2)17-14-7-13-12(3)8-18(4,5)20-15(13)9-19(14,6)10-16(17)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1
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n/an/a 9.71E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using nitrophenyl phosphate as substrate after 30 mins by spectrophotometry


J Nat Prod 77: 807-12 (2014)


Article DOI: 10.1021/np4009078
BindingDB Entry DOI: 10.7270/Q2WW7K61
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50008517
PNG
(CHEMBL3235601)
Show SMILES CC(C)C1=CC2=C3C(C[C@@]2(C)CC1=O)=NC(C)(C)C=C3C
Show InChI InChI=1S/C19H25NO/c1-11(2)13-7-14-17-12(3)8-18(4,5)20-15(17)9-19(14,6)10-16(13)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1
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n/an/a 9.97E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using nitrophenyl phosphate as substrate after 30 mins by spectrophotometry


J Nat Prod 77: 807-12 (2014)


Article DOI: 10.1021/np4009078
BindingDB Entry DOI: 10.7270/Q2WW7K61
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50055242
PNG
(CHEMBL3317605)
Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2cccs2)c1C(=O)OCC
Show InChI InChI=1S/C15H16N2O4S2/c1-3-20-14(18)10-11(15(19)21-4-2)13(23-12(10)16)17-8-9-6-5-7-22-9/h5-8H,3-4,16H2,1-2H3/b17-8+
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n/an/a 1.48E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins


Eur J Med Chem 84: 739-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.065
BindingDB Entry DOI: 10.7270/Q22Z176V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50008519
PNG
(CHEMBL3235603)
Show SMILES CC(C)[C@@]12CC(=O)C(C)=C1C=C1C(C)=CC(C)(C)N=C1C2
Show InChI InChI=1S/C19H25NO/c1-11(2)19-9-16-14(12(3)8-18(5,6)20-16)7-15(19)13(4)17(21)10-19/h7-8,11H,9-10H2,1-6H3/t19-/m1/s1
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PubMed
n/an/a 1.69E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using nitrophenyl phosphate as substrate after 30 mins by spectrophotometry


J Nat Prod 77: 807-12 (2014)


Article DOI: 10.1021/np4009078
BindingDB Entry DOI: 10.7270/Q2WW7K61
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50120390
PNG
(CHEMBL3616846)
Show SMILES NCc1nc2sc3CCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C10H11N3OS/c11-4-7-12-9(14)8-5-2-1-3-6(5)15-10(8)13-7/h1-4,11H2,(H,12,13,14)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Xinjiang Technical Institute of Physics and Chemistry

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Eur J Med Chem 102: 552-73 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.018
BindingDB Entry DOI: 10.7270/Q2Q52RFJ
More data for this
Ligand-Target Pair