Found 815 hits with Last Name = 'gao' and Initial = 'lx' 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 1
(Homo sapiens (Human)) | BDBM50401506
(CHEMBL2205895)Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(C[C@]4(C)[C@H]3CC[C@]12C)cnn5-c1ccccc1 |r,t:13| Show InChI InChI=1S/C33H44N2O2/c1-21(11-16-29(36)37)25-13-14-26-24-12-15-28-31(2,3)30-22(20-34-35(30)23-9-7-6-8-10-23)19-33(28,5)27(24)17-18-32(25,26)4/h6-10,15,20-21,24-27H,11-14,16-19H2,1-5H3,(H,36,37)/t21-,24+,25-,26+,27+,32-,33-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Competitive inhibition of PTP1B by para-nitrophenyl phosphate release assay |
Bioorg Med Chem Lett 22: 7237-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.040
BindingDB Entry DOI: 10.7270/Q2JH3NCP |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50045060
(CHEMBL3309789)Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cccc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)c1 Show InChI InChI=1S/C23H18INO7/c1-2-32-23(31)20(27)10-19(26)14-5-3-4-13(8-14)11-25-12-17(22(29)30)21(28)16-9-15(24)6-7-18(16)25/h3-10,12,27H,2,11H2,1H3,(H,29,30)/b20-10- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of PTP1B (unknown origin) using pNPP as substrate by Lineweaver-Burk plot |
Bioorg Med Chem 22: 3670-83 (2014)
Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50347243
(CHEMBL1795950)Show SMILES CC(C)(C)OC(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C45H52N4O10/c1-45(2,3)59-44(52)46-37(43(50)51)30-54-29-36-24-49(48-47-36)42-41(57-28-35-22-14-7-15-23-35)40(56-27-34-20-12-6-13-21-34)39(55-26-33-18-10-5-11-19-33)38(58-42)31-53-25-32-16-8-4-9-17-32/h4-24,37-42H,25-31H2,1-3H3,(H,46,52)(H,50,51)/t37-,38+,39+,40-,41+,42+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Competitive inhibition of human recombinant PTB1B catalytic domain using pNPP substrate at 30 degC and pH 6.5 by Eadie-Hofstee plot |
Bioorg Med Chem 19: 3892-900 (2011)
Article DOI: 10.1016/j.bmc.2011.05.049
BindingDB Entry DOI: 10.7270/Q2RJ4JTV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50069691
(Xanthoangelol | Xanthoangerol)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccccc2)c1-[#8] Show InChI InChI=1S/C25H28O3/c1-18(2)8-7-9-19(3)12-14-21-24(27)17-15-22(25(21)28)23(26)16-13-20-10-5-4-6-11-20/h4-6,8,10-13,15-17,27-28H,7,9,14H2,1-3H3/b16-13+,19-12+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay |
Bioorg Med Chem Lett 25: 2028-32 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527733
(CHEMBL4552922)Show SMILES C[C@@](O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 |r| Show InChI InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24)/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human NIK using ATP as substrate by kinase-glo assay |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527759
(CHEMBL4448524)Show SMILES CN1CCC(O)(C#Cc2ccc(F)c(c2)-c2c[nH]c3cnc(N)nc23)C1=O Show InChI InChI=1S/C19H16FN5O2/c1-25-7-6-19(27,17(25)26)5-4-11-2-3-14(20)12(8-11)13-9-22-15-10-23-18(21)24-16(13)15/h2-3,8-10,22,27H,6-7H2,1H3,(H2,21,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527726
(CHEMBL4445719)Show SMILES C[C@@](O)(C#Cc1ccc(F)c(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1 |r| Show InChI InChI=1S/C19H14FN5OS/c1-19(26,17-22-6-7-27-17)5-4-11-2-3-14(20)12(8-11)13-9-23-15-10-24-18(21)25-16(13)15/h2-3,6-10,23,26H,1H3,(H2,21,24,25)/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527733
(CHEMBL4552922)Show SMILES C[C@@](O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 |r| Show InChI InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24)/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527761
(CHEMBL4447392)Show SMILES CC(O)(C#Cc1cc(ccn1)-n1ccc2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C18H14N6OS/c1-18(25,16-21-7-9-26-16)5-2-13-10-14(3-6-20-13)24-8-4-12-11-22-17(19)23-15(12)24/h3-4,6-11,25H,1H3,(H2,19,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527744
(CHEMBL4520250)Show SMILES CN1CCC(O)(C#Cc2cc(ccn2)-n2ccc3cnc(N)nc23)C1=O Show InChI InChI=1S/C18H16N6O2/c1-23-9-6-18(26,16(23)25)5-2-13-10-14(3-7-20-13)24-8-4-12-11-21-17(19)22-15(12)24/h3-4,7-8,10-11,26H,6,9H2,1H3,(H2,19,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527745
(CHEMBL4434804)Show SMILES CN1CCCC(O)(C#Cc2cc(ccn2)-n2ccc3cnc(N)nc23)C1=O Show InChI InChI=1S/C19H18N6O2/c1-24-9-2-6-19(27,17(24)26)7-3-14-11-15(4-8-21-14)25-10-5-13-12-22-18(20)23-16(13)25/h4-5,8,10-12,27H,2,6,9H2,1H3,(H2,20,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527764
(CHEMBL4556033)Show SMILES CN1CCC(O)(C#Cc2cc(ccn2)-n2ccc3c(C)nc(N)nc23)C1=O Show InChI InChI=1S/C19H18N6O2/c1-12-15-5-9-25(16(15)23-18(20)22-12)14-4-8-21-13(11-14)3-6-19(27)7-10-24(2)17(19)26/h4-5,8-9,11,27H,7,10H2,1-2H3,(H2,20,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527724
(CHEMBL4473180)Show SMILES CC(O)(C#Cc1ccc(F)c(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C19H14FN5OS/c1-19(26,17-22-6-7-27-17)5-4-11-2-3-14(20)12(8-11)13-9-23-15-10-24-18(21)25-16(13)15/h2-3,6-10,23,26H,1H3,(H2,21,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527748
(CHEMBL4472671)Show SMILES CC(O)(C#Cc1cc(c(F)cn1)-n1ccc2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C18H13FN6OS/c1-18(26,16-21-5-7-27-16)4-2-12-8-14(13(19)10-22-12)25-6-3-11-9-23-17(20)24-15(11)25/h3,5-10,26H,1H3,(H2,20,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527729
(CHEMBL4453280)Show SMILES Cc1cc(no1)C(C)(O)C#Cc1cc(ccn1)-n1ccc2cnc(N)nc12 Show InChI InChI=1S/C19H16N6O2/c1-12-9-16(24-27-12)19(2,26)6-3-14-10-15(4-7-21-14)25-8-5-13-11-22-18(20)23-17(13)25/h4-5,7-11,26H,1-2H3,(H2,20,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527753
(CHEMBL4458157)Show SMILES COc1ccc(cc1-c1c[nH]c2cnc(N)nc12)C#CC(C)(O)c1nccs1 Show InChI InChI=1S/C20H17N5O2S/c1-20(26,18-22-7-8-28-18)6-5-12-3-4-16(27-2)13(9-12)14-10-23-15-11-24-19(21)25-17(14)15/h3-4,7-11,23,26H,1-2H3,(H2,21,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527730
(CHEMBL4468246)Show SMILES CCc1nc(N)nc2n(ccc12)-c1ccnc(c1)C#CC1(O)CCN(C)C1=O Show InChI InChI=1S/C20H20N6O2/c1-3-16-15-6-10-26(17(15)24-19(21)23-16)14-5-9-22-13(12-14)4-7-20(28)8-11-25(2)18(20)27/h5-6,9-10,12,28H,3,8,11H2,1-2H3,(H2,21,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
M-phase inducer phosphatase 2
(Homo sapiens (Human)) | BDBM124256
((3S,3aR,4S,7aS)-4-acetyl-7-dodecyl-3-methyl-1-oxo-...)Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=CC2CCCCCCCCCCCC)C(O)=O |r,c:27| Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33?,35+,36+,39-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
| |
Org Biomol Chem 12: 3441-5 (2014)
Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527769
(CHEMBL4587413)Show SMILES CC(O)(C#Cc1cc(ccc1F)-n1ccc2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C19H14FN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-10-14(2-3-15(12)20)25-8-5-13-11-23-18(21)24-16(13)25/h2-3,5,7-11,26H,1H3,(H2,21,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527735
(CHEMBL4555743)Show SMILES CC(O)(C#Cc1ccc(F)c(c1)-n1ccc2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C19H14FN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-14(20)15(10-12)25-8-5-13-11-23-18(21)24-16(13)25/h2-3,5,7-11,26H,1H3,(H2,21,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527737
(CHEMBL4536229)Show SMILES COc1ccc(cc1-n1ccc2cnc(N)nc12)C#CC(C)(O)c1nccs1 Show InChI InChI=1S/C20H17N5O2S/c1-20(26,18-22-8-10-28-18)7-5-13-3-4-16(27-2)15(11-13)25-9-6-14-12-23-19(21)24-17(14)25/h3-4,6,8-12,26H,1-2H3,(H2,21,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 216 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527751
(CHEMBL4448072)Show SMILES CC(O)(C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C19H15N5OS/c1-19(25,17-21-7-8-26-17)6-5-12-3-2-4-13(9-12)14-10-22-15-11-23-18(20)24-16(14)15/h2-4,7-11,22,25H,1H3,(H2,20,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 218 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527738
(CHEMBL4526578)Show SMILES CC(O)(C#Cc1cc(ccc1C#N)-n1ccc2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C20H14N6OS/c1-20(27,18-23-7-9-28-18)6-4-13-10-16(3-2-14(13)11-21)26-8-5-15-12-24-19(22)25-17(15)26/h2-3,5,7-10,12,27H,1H3,(H2,22,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
M-phase inducer phosphatase 2
(Homo sapiens (Human)) | BDBM124255
((3S,3aR,4S,7R,7aS)-4-acetyl-7-dodecyl-3-methyl-1-o...)Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=C[C@H]2CCCCCCCCCCCC)C(O)=O |r,c:27| Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33+,35+,36+,39-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
| |
Org Biomol Chem 12: 3441-5 (2014)
Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527746
(CHEMBL4450626)Show InChI InChI=1S/C18H17N5O/c19-17-21-12-13-5-10-23(16(13)22-17)15-4-9-20-14(11-15)3-8-18(24)6-1-2-7-18/h4-5,9-12,24H,1-2,6-7H2,(H2,19,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 234 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM124256
((3S,3aR,4S,7aS)-4-acetyl-7-dodecyl-3-methyl-1-oxo-...)Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=CC2CCCCCCCCCCCC)C(O)=O |r,c:27| Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33?,35+,36+,39-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
| |
Org Biomol Chem 12: 3441-5 (2014)
Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM124255
((3S,3aR,4S,7R,7aS)-4-acetyl-7-dodecyl-3-methyl-1-o...)Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=C[C@H]2CCCCCCCCCCCC)C(O)=O |r,c:27| Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33+,35+,36+,39-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
| |
Org Biomol Chem 12: 3441-5 (2014)
Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527731
(CHEMBL4458507)Show SMILES COc1cc(cc(c1)-c1c[nH]c2cnc(N)nc12)C#CC(C)(O)c1nccs1 Show InChI InChI=1S/C20H17N5O2S/c1-20(26,18-22-5-6-28-18)4-3-12-7-13(9-14(8-12)27-2)15-10-23-16-11-24-19(21)25-17(15)16/h5-11,23,26H,1-2H3,(H2,21,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527755
(CHEMBL4519315)Show SMILES Cc1cc(no1)C(C)(O)C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12 Show InChI InChI=1S/C20H17N5O2/c1-12-8-17(25-27-12)20(2,26)7-6-13-4-3-5-14(9-13)15-10-22-16-11-23-19(21)24-18(15)16/h3-5,8-11,22,26H,1-2H3,(H2,21,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527734
(CHEMBL4569126)Show SMILES CC(O)(C#Cc1cccc(c1)-n1ccc2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C19H15N5OS/c1-19(25,17-21-8-10-26-17)7-5-13-3-2-4-15(11-13)24-9-6-14-12-22-18(20)23-16(14)24/h2-4,6,8-12,25H,1H3,(H2,20,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 303 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527765
(CHEMBL4444157)Show SMILES CC(O)(C#Cc1cc(F)cc(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C19H14FN5OS/c1-19(26,17-22-4-5-27-17)3-2-11-6-12(8-13(20)7-11)14-9-23-15-10-24-18(21)25-16(14)15/h4-10,23,26H,1H3,(H2,21,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527770
(CHEMBL4534080)Show SMILES Cc1ccc(cc1-n1ccc2cnc(N)nc12)C#CC(C)(O)c1nccs1 Show InChI InChI=1S/C20H17N5OS/c1-13-3-4-14(5-7-20(2,26)18-22-8-10-27-18)11-16(13)25-9-6-15-12-23-19(21)24-17(15)25/h3-4,6,8-12,26H,1-2H3,(H2,21,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 335 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527775
(CHEMBL4437207)Show InChI InChI=1S/C17H15N5O/c18-16-20-11-12-4-9-22(15(12)21-16)14-3-8-19-13(10-14)2-7-17(23)5-1-6-17/h3-4,8-11,23H,1,5-6H2,(H2,18,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 388 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527757
(CHEMBL4474571)Show SMILES CN1CCC(O)(C#Cc2cccc(c2)-c2c[nH]c3cnc(N)nc23)C1=O Show InChI InChI=1S/C19H17N5O2/c1-24-8-7-19(26,17(24)25)6-5-12-3-2-4-13(9-12)14-10-21-15-11-22-18(20)23-16(14)15/h2-4,9-11,21,26H,7-8H2,1H3,(H2,20,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527760
(CHEMBL4461131)Show SMILES CC(O)(C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12)c1cnccn1 Show InChI InChI=1S/C20H16N6O/c1-20(27,17-12-22-7-8-23-17)6-5-13-3-2-4-14(9-13)15-10-24-16-11-25-19(21)26-18(15)16/h2-4,7-12,24,27H,1H3,(H2,21,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 468 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527774
(CHEMBL4443912)Show SMILES Nc1ncc2[nH]cc(-c3cccc(c3)C#CC3(O)CCCC3)c2n1 Show InChI InChI=1S/C19H18N4O/c20-18-22-12-16-17(23-18)15(11-21-16)14-5-3-4-13(10-14)6-9-19(24)7-1-2-8-19/h3-5,10-12,21,24H,1-2,7-8H2,(H2,20,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 475 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50441777
(CHEMBL2436037)Show SMILES OC(=O)c1ccc(F)cc1NC(=O)c1nc(sc1-c1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C43H35FN4O5S/c44-31-18-21-34(43(51)52)36(24-31)47-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(46-38(49)22-17-30-25-45-35-14-8-7-13-33(30)35)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-16,18-21,24-25,37,45H,17,22-23,26H2,(H,46,49)(H,47,50)(H,51,52)/t37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis |
Eur J Med Chem 69: 399-412 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50068975
(CHEMBL3402413)Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1 Show InChI InChI=1S/C23H20Br2O4S2/c24-18-10-11-21(25)20(13-18)23(27)28-12-4-2-1-3-5-16-6-8-17(9-7-16)22(26)29-19-14-30-31-15-19/h6-11,13,19H,1-2,4,12,14-15H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B (unknown origin) |
Bioorg Med Chem Lett 25: 2211-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527736
(CHEMBL4457508)Show SMILES CC(O)(C#Cc1cc(c(F)cc1F)-n1ccc2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C19H13F2N5OS/c1-19(27,17-23-5-7-28-17)4-2-11-8-15(14(21)9-13(11)20)26-6-3-12-10-24-18(22)25-16(12)26/h3,5-10,27H,1H3,(H2,22,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 641 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50441784
(CHEMBL2436038)Show SMILES OC(=O)c1ccc(Cl)cc1NC(=O)c1nc(sc1-c1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C43H35ClN4O5S/c44-31-18-21-34(43(51)52)36(24-31)47-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(46-38(49)22-17-30-25-45-35-14-8-7-13-33(30)35)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-16,18-21,24-25,37,45H,17,22-23,26H2,(H,46,49)(H,47,50)(H,51,52)/t37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis |
Eur J Med Chem 69: 399-412 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527767
(CHEMBL4534280)Show InChI InChI=1S/C17H16N4O/c1-17(2,22)7-6-11-4-3-5-12(8-11)13-9-19-14-10-20-16(18)21-15(13)14/h3-5,8-10,19,22H,1-2H3,(H2,18,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50527776
(CHEMBL4562069)Show InChI InChI=1S/C20H21N5O/c21-19-23-14-15-7-12-25(18(15)24-19)17-6-11-22-16(13-17)5-10-20(26)8-3-1-2-4-9-20/h6-7,11-14,26H,1-4,8-9H2,(H2,21,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 748 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su... |
J Med Chem 63: 4388-4407 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00396
BindingDB Entry DOI: 10.7270/Q2B85CKJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50441781
(CHEMBL2436043)Show SMILES OC(=O)c1ccc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)c(F)c1 |r| Show InChI InChI=1S/C43H35FN4O5S/c44-34-24-30(43(51)52)17-21-36(34)47-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(46-38(49)22-18-31-25-45-35-14-8-7-13-33(31)35)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-17,19-21,24-25,37,45H,18,22-23,26H2,(H,46,49)(H,47,50)(H,51,52)/t37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis |
Eur J Med Chem 69: 399-412 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50441778
(CHEMBL2436032)Show SMILES OC(=O)c1cccc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C43H36N4O5S/c48-38(23-20-32-26-44-36-17-8-7-16-35(32)36)46-37(24-28-18-21-34(22-19-28)52-27-29-10-3-1-4-11-29)42-47-39(40(53-42)30-12-5-2-6-13-30)41(49)45-33-15-9-14-31(25-33)43(50)51/h1-19,21-22,25-26,37,44H,20,23-24,27H2,(H,45,49)(H,46,48)(H,50,51)/t37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis |
Eur J Med Chem 69: 399-412 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50441775
(CHEMBL2436042)Show SMILES OC(=O)c1ccc(F)c(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C43H35FN4O5S/c44-34-21-17-30(43(51)52)24-36(34)47-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(46-38(49)22-18-31-25-45-35-14-8-7-13-33(31)35)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-17,19-21,24-25,37,45H,18,22-23,26H2,(H,46,49)(H,47,50)(H,51,52)/t37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis |
Eur J Med Chem 69: 399-412 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50441779
(CHEMBL2436030)Show SMILES OC(=O)c1cccc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)C2CCCCC2)c1 |r| Show InChI InChI=1S/C39H37N3O5S/c43-36(29-15-8-3-9-16-29)41-33(23-26-19-21-32(22-20-26)47-25-27-11-4-1-5-12-27)38-42-34(35(48-38)28-13-6-2-7-14-28)37(44)40-31-18-10-17-30(24-31)39(45)46/h1-2,4-7,10-14,17-22,24,29,33H,3,8-9,15-16,23,25H2,(H,40,44)(H,41,43)(H,45,46)/t33-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis |
Eur J Med Chem 69: 399-412 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50441783
(CHEMBL2436039)Show SMILES OC(=O)c1ccc(Br)cc1NC(=O)c1nc(sc1-c1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C43H35BrN4O5S/c44-31-18-21-34(43(51)52)36(24-31)47-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(46-38(49)22-17-30-25-45-35-14-8-7-13-33(30)35)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-16,18-21,24-25,37,45H,17,22-23,26H2,(H,46,49)(H,47,50)(H,51,52)/t37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis |
Eur J Med Chem 69: 399-412 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50351780
(CHEMBL1823762)Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1Cl Show InChI InChI=1S/C29H23ClFNO4/c30-25-7-3-1-5-20(25)12-14-28(33)32-27(29(34)35)16-19-9-10-22-17-24(13-11-21(22)15-19)36-18-23-6-2-4-8-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-12+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate |
Eur J Med Chem 46: 3630-8 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50441777
(CHEMBL2436037)Show SMILES OC(=O)c1ccc(F)cc1NC(=O)c1nc(sc1-c1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C43H35FN4O5S/c44-31-18-21-34(43(51)52)36(24-31)47-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(46-38(49)22-17-30-25-45-35-14-8-7-13-33(30)35)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-16,18-21,24-25,37,45H,17,22-23,26H2,(H,46,49)(H,47,50)(H,51,52)/t37-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP (unknown origin) |
Eur J Med Chem 69: 399-412 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50441776
(CHEMBL2436041)Show SMILES OC(=O)c1cc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)ccc1Cl |r| Show InChI InChI=1S/C43H35ClN4O5S/c44-35-21-18-31(24-34(35)43(51)52)46-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(47-38(49)22-17-30-25-45-36-14-8-7-13-33(30)36)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-16,18-21,24-25,37,45H,17,22-23,26H2,(H,46,50)(H,47,49)(H,51,52)/t37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis |
Eur J Med Chem 69: 399-412 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1 |
More data for this
Ligand-Target Pair | |
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