Found 929 hits with Last Name = 'bottini' and Initial = 'n' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50436357
(CHEMBL2396719)Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1 Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34) | PDB
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| PDB
Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Competitive inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP... |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50393461
(CHEMBL2159938)Show SMILES CC(C)c1ccc(CN(Cc2ccccc2)C(c2nnnn2C2CCCC2)c2cc3cc(C)ccc3[nH]c2=O)cc1 Show InChI InChI=1S/C34H38N6O/c1-23(2)27-16-14-26(15-17-27)22-39(21-25-9-5-4-6-10-25)32(33-36-37-38-40(33)29-11-7-8-12-29)30-20-28-19-24(3)13-18-31(28)35-34(30)41/h4-6,9-10,13-20,23,29,32H,7-8,11-12,21-22H2,1-3H3,(H,35,41) | PDB
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| 2.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate |
J Med Chem 54: 1640-54 (2011)
Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50335895
(6-hydroxy-3-(1-(4-(naphthalen-1-ylamino)-4-oxobuty...)Show SMILES OC(=O)c1cc2c(-c3cn(CCCC(=O)Nc4cccc5ccccc45)nn3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C31H24N4O5/c36-26-17-27-23(16-22(26)31(38)39)29(30(40-27)20-9-2-1-3-10-20)25-18-35(34-33-25)15-7-14-28(37)32-24-13-6-11-19-8-4-5-12-21(19)24/h1-6,8-13,16-18,36H,7,14-15H2,(H,32,37)(H,38,39) | PDB
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| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Competitive inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP... |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50393496
(CHEMBL2159935)Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCO1 Show InChI InChI=1S/C26H34N6O2/c1-18-8-9-21-19(15-18)16-20(25(33)27-21)23(24-28-29-30-32(24)22-7-5-14-34-22)31-13-6-12-26(17-31)10-3-2-4-11-26/h8-9,15-16,22-23H,2-7,10-14,17H2,1H3,(H,27,33) | PDB
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| 3.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate |
J Med Chem 54: 1640-54 (2011)
Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50393463
(CHEMBL2159940)Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N(Cc1ccccc1)Cc1ccc(Cl)cc1)c1nnnn1C1CCCC1 Show InChI InChI=1S/C31H31ClN6O/c1-21-11-16-28-24(17-21)18-27(31(39)33-28)29(30-34-35-36-38(30)26-9-5-6-10-26)37(19-22-7-3-2-4-8-22)20-23-12-14-25(32)15-13-23/h2-4,7-8,11-18,26,29H,5-6,9-10,19-20H2,1H3,(H,33,39) | PDB
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| 8.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate |
J Med Chem 54: 1640-54 (2011)
Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50393461
(CHEMBL2159938)Show SMILES CC(C)c1ccc(CN(Cc2ccccc2)C(c2nnnn2C2CCCC2)c2cc3cc(C)ccc3[nH]c2=O)cc1 Show InChI InChI=1S/C34H38N6O/c1-23(2)27-16-14-26(15-17-27)22-39(21-25-9-5-4-6-10-25)32(33-36-37-38-40(33)29-11-7-8-12-29)30-20-28-19-24(3)13-18-31(28)35-34(30)41/h4-6,9-10,13-20,23,29,32H,7-8,11-12,21-22H2,1-3H3,(H,35,41) | PDB
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| 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Noncompetitive inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate |
J Med Chem 54: 1640-54 (2011)
Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50393462
(CHEMBL2159939)Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1nnnn1C1CCCC1 Show InChI InChI=1S/C34H37N7O/c1-24-16-17-30-27(22-24)23-29(34(42)35-30)32(33-36-37-38-41(33)28-14-8-9-15-28)40-20-18-39(19-21-40)31(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-13,16-17,22-23,28,31-32H,8-9,14-15,18-21H2,1H3,(H,35,42) | PDB
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| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate |
J Med Chem 54: 1640-54 (2011)
Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM46264
(3-[2-azaspiro[5.5]undecan-2-yl-(1-cyclopentyl-1,2,...)Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCC1 Show InChI InChI=1S/C27H36N6O/c1-19-10-11-23-20(16-19)17-22(26(34)28-23)24(25-29-30-31-33(25)21-8-3-4-9-21)32-15-7-14-27(18-32)12-5-2-6-13-27/h10-11,16-17,21,24H,2-9,12-15,18H2,1H3,(H,28,34) | PDB
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| 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate |
J Med Chem 54: 1640-54 (2011)
Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50393496
(CHEMBL2159935)Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCO1 Show InChI InChI=1S/C26H34N6O2/c1-18-8-9-21-19(15-18)16-20(25(33)27-21)23(24-28-29-30-32(24)22-7-5-14-34-22)31-13-6-12-26(17-31)10-3-2-4-11-26/h8-9,15-16,22-23H,2-7,10-14,17H2,1H3,(H,27,33) | PDB
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| 1.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Noncompetitive inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate |
J Med Chem 54: 1640-54 (2011)
Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50393462
(CHEMBL2159939)Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1nnnn1C1CCCC1 Show InChI InChI=1S/C34H37N7O/c1-24-16-17-30-27(22-24)23-29(34(42)35-30)32(33-36-37-38-41(33)28-14-8-9-15-28)40-20-18-39(19-21-40)31(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-13,16-17,22-23,28,31-32H,8-9,14-15,18-21H2,1H3,(H,35,42) | PDB
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| 2.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Noncompetitive inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate |
J Med Chem 54: 1640-54 (2011)
Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50393463
(CHEMBL2159940)Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N(Cc1ccccc1)Cc1ccc(Cl)cc1)c1nnnn1C1CCCC1 Show InChI InChI=1S/C31H31ClN6O/c1-21-11-16-28-24(17-21)18-27(31(39)33-28)29(30-34-35-36-38(30)26-9-5-6-10-26)37(19-22-7-3-2-4-8-22)20-23-12-14-25(32)15-13-23/h2-4,7-8,11-18,26,29H,5-6,9-10,19-20H2,1H3,(H,33,39) | PDB
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| 2.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Noncompetitive inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate |
J Med Chem 54: 1640-54 (2011)
Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50335895
(6-hydroxy-3-(1-(4-(naphthalen-1-ylamino)-4-oxobuty...)Show SMILES OC(=O)c1cc2c(-c3cn(CCCC(=O)Nc4cccc5ccccc45)nn3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C31H24N4O5/c36-26-17-27-23(16-22(26)31(38)39)29(30(40-27)20-9-2-1-3-10-20)25-18-35(34-33-25)15-7-14-28(37)32-24-13-6-11-19-8-4-5-12-21(19)24/h1-6,8-13,16-18,36H,7,14-15H2,(H,32,37)(H,38,39) | PDB
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| 3.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate |
J Med Chem 54: 1640-54 (2011)
Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM46264
(3-[2-azaspiro[5.5]undecan-2-yl-(1-cyclopentyl-1,2,...)Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCC1 Show InChI InChI=1S/C27H36N6O/c1-19-10-11-23-20(16-19)17-22(26(34)28-23)24(25-29-30-31-33(25)21-8-3-4-9-21)32-15-7-14-27(18-32)12-5-2-6-13-27/h10-11,16-17,21,24H,2-9,12-15,18H2,1H3,(H,28,34) | PDB
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| 3.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description
Noncompetitive inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate |
J Med Chem 54: 1640-54 (2011)
Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0 |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576941
(CHEMBL4875137)Show SMILES Cc1ccccc1-c1nc2c(N)ncn(Cc3c(Cl)cncc3Cl)c2n1 | PDB
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UniChem
| Article
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576927
(CHEMBL4856707)Show SMILES Cc1ccccc1-c1nc2c(N)ncn(Cc3c(Cl)cccc3Cl)c2n1 | PDB
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UniChem
| PDB
Article
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576940
(CHEMBL4857535) | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576928
(CHEMBL4855952)Show SMILES Cc1cccc(c1)-c1nc2c(N)ncn(Cc3c(Cl)cccc3Cl)c2n1 | PDB
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576921
(CHEMBL4874911) | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576933
(CHEMBL4848127)Show SMILES COc1ccccc1-c1nc2c(N)ncn(Cc3c(Cl)cccc3Cl)c2n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576932
(CHEMBL4873827)Show SMILES Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(nc12)-c1ccc(F)cc1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576929
(CHEMBL4859307)Show SMILES Cc1ccc(cc1)-c1nc2c(N)ncn(Cc3c(Cl)cccc3Cl)c2n1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576930
(CHEMBL4858034)Show SMILES Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(nc12)-c1ccccc1F | PDB
UniProtKB/SwissProt
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UniChem
| Article
PubMed
| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576924
(CHEMBL4861843)Show SMILES Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(nc12)-c1ccccc1Cl | PDB
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TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50436358
(CHEMBL2396718)Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34) | PDB
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Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat... |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576931
(CHEMBL4870698)Show SMILES Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(nc12)-c1cccc(F)c1 | PDB
UniProtKB/SwissProt
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| Article
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| n/a | n/a | 239 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576919
(CHEMBL4847980) | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
| Article
PubMed
| n/a | n/a | 239 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576934
(CHEMBL4868378)Show SMILES Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(nc12)-c1ccccc1C#N | PDB
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| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50436357
(CHEMBL2396719)Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1 Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34) | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Reversible inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP ... |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50436357
(CHEMBL2396719)Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1 Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34) | PDB
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| n/a | n/a | 259 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 294) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat... |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50436357
(CHEMBL2396719)Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1 Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34) | PDB
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| n/a | n/a | 259 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Reversible inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP ... |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50436357
(CHEMBL2396719)Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1 Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34) | PDB
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| n/a | n/a | 259 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat... |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50436360
(CHEMBL2396723)Show SMILES COc1ccc(CNC(=O)COc2ccc(cc2)-c2oc3cc(O)c(cc3c2C#Cc2cccc(Cl)c2)C(O)=O)cc1OC Show InChI InChI=1S/C34H26ClNO8/c1-41-29-13-7-21(15-31(29)42-2)18-36-32(38)19-43-24-10-8-22(9-11-24)33-25(12-6-20-4-3-5-23(35)14-20)26-16-27(34(39)40)28(37)17-30(26)44-33/h3-5,7-11,13-17,37H,18-19H2,1-2H3,(H,36,38)(H,39,40) | PDB
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| n/a | n/a | 259 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat... |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50436363
(CHEMBL2396720)Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C31H20ClNO6/c32-21-6-4-5-19(15-21)9-14-24-25-16-26(31(36)37)27(34)17-28(25)39-30(24)20-10-12-23(13-11-20)38-18-29(35)33-22-7-2-1-3-8-22/h1-8,10-13,15-17,34H,18H2,(H,33,35)(H,36,37) | PDB
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| n/a | n/a | 263 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat... |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576926
(CHEMBL4857590)Show SMILES Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(nc12)-c1ccc(Cl)cc1 | PDB
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| n/a | n/a | 288 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50436364
(CHEMBL2396717)Show SMILES CC(C)c1ccc(NC(=O)COc2cccc(c2)-c2oc3cc(O)c(cc3c2C#Cc2cccc(Cl)c2)C(O)=O)cc1 Show InChI InChI=1S/C34H26ClNO6/c1-20(2)22-10-12-25(13-11-22)36-32(38)19-41-26-8-4-6-23(16-26)33-27(14-9-21-5-3-7-24(35)15-21)28-17-29(34(39)40)30(37)18-31(28)42-33/h3-8,10-13,15-18,20,37H,19H2,1-2H3,(H,36,38)(H,39,40) | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 294) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat... |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50436364
(CHEMBL2396717)Show SMILES CC(C)c1ccc(NC(=O)COc2cccc(c2)-c2oc3cc(O)c(cc3c2C#Cc2cccc(Cl)c2)C(O)=O)cc1 Show InChI InChI=1S/C34H26ClNO6/c1-20(2)22-10-12-25(13-11-22)36-32(38)19-41-26-8-4-6-23(16-26)33-27(14-9-21-5-3-7-24(35)15-21)28-17-29(34(39)40)30(37)18-31(28)42-33/h3-8,10-13,15-18,20,37H,19H2,1-2H3,(H,36,38)(H,39,40) | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat... |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576920
(CHEMBL4852414) | PDB
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| Article
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| n/a | n/a | 306 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50436362
(CHEMBL2396721)Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |THB:36:35:32:38.37.39,36:37:34.35.40:32,39:37:34:40.31.32,39:31:34:38.36.37| Show InChI InChI=1S/C35H30ClNO6/c36-25-3-1-2-20(13-25)4-9-27-28-14-29(34(40)41)30(38)15-31(28)43-33(27)24-5-7-26(8-6-24)42-19-32(39)37-35-16-21-10-22(17-35)12-23(11-21)18-35/h1-3,5-8,13-15,21-23,38H,10-12,16-19H2,(H,37,39)(H,40,41) | PDB
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| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat... |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50436358
(CHEMBL2396718)Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34) | PDB
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| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LMWPTP (unknown origin) using pNPP as substrate by spectrophotometric analysis |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair | |
Low molecular weight phosphotyrosine protein phosphatase
(Homo sapiens (Human)) | BDBM50576925
(CHEMBL4846731)Show SMILES Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(nc12)-c1cccc(Cl)c1 | PDB
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| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02126
BindingDB Entry DOI: 10.7270/Q21G0R2R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 13
(Homo sapiens (Human)) | BDBM50436358
(CHEMBL2396718)Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34) | PDB
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| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FAP-1 (unknown origin) using pNPP as substrate by spectrophotometric analysis |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase beta
(Homo sapiens (Human)) | BDBM50436358
(CHEMBL2396718)Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34) | PDB
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| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTPbeta (unknown origin) using pNPP as substrate by spectrophotometric analysis |
J Med Chem 56: 4990-5008 (2013)
Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 2
(Homo sapiens (Human)) | BDBM610833
(BDBM611039 | US10626094, Example I57 | phenyl-N-(4...)Show SMILES O=CN(c1ccccc1)c1ccc(cc1)-c1cc(NCCCC2CCCNC2)c2ccccc2n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GQ72WB |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 2
(Homo sapiens (Human)) | BDBM533129
(N-(2-cyanoethyl)(4-{4-[(3- piperidylpropyl)amino](...)Show SMILES O=C(NCCC#N)c1ccc(cc1)-c1cc(NCCCC2CCCNC2)c2ccccc2n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GQ72WB |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 2
(Homo sapiens (Human)) | BDBM533135
(US10626094, Example I65 | US11220486, Compound I65...)Show SMILES CCOC(=O)CNC(=O)c1ccc(cc1)-c1cc(NCCCC2CCCNC2)c2ccccc2n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GQ72WB |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 2
(Homo sapiens (Human)) | BDBM533136
(N-[2-(dimethylamino)ethyl](4-{4-[(3- piperidylprop...)Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cc(NCCCC2CCCNC2)c2ccccc2n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GQ72WB |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 2
(Homo sapiens (Human)) | BDBM533137
(N-(3-hydroxypropyl)(4-{4-[(3- piperidylpropyl)amin...)Show SMILES OCCCNC(=O)c1ccc(cc1)-c1cc(NCCCC2CCCNC2)c2ccccc2n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GQ72WB |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 2
(Homo sapiens (Human)) | BDBM533141
(N,N-diethyl(4-{4-[(3-piperidylpropyl)amino](2- qui...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)-c1cc(NCCCC2CCCNC2)c2ccccc2n1 | PDB
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GQ72WB |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 2
(Homo sapiens (Human)) | BDBM533144
(4-{4-[(3-piperidylpropyl)amino]-2- quinolyl}benzam...)Show SMILES NC(=O)c1ccc(cc1)-c1cc(NCCCC2CCCNC2)c2ccccc2n1 | PDB
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
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UniChem
| | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GQ72WB |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 2
(Homo sapiens (Human)) | BDBM533148
((2-benzo[b]thiophen-6-yl(4-quinolyl))(3- piperidyl...)Show SMILES C(CNc1cc(nc2ccccc12)-c1ccc2ccsc2c1)CC1CCCNC1 | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GQ72WB |
More data for this
Ligand-Target Pair | |
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