Found 3 hits of Enzyme Inhibition Constant Data 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)) | BDBM50370424
(CHEMBL1791292)Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(-[#8]-[#6]-[#6](-[#8])=O)c(c1)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C30H44N8O12/c1-4-14(2)24(28(47)36-18(25(31)44)6-5-9-34-30(32)33)38-27(46)19(37-26(45)20(12-22(40)41)35-15(3)39)11-16-7-8-21(50-13-23(42)43)17(10-16)29(48)49/h7-8,10,14,18-20,24H,4-6,9,11-13H2,1-3H3,(H2,31,44)(H,35,39)(H,36,47)(H,37,45)(H,38,46)(H,40,41)(H,42,43)(H,48,49)(H4,32,33,34)/t14-,18+,19?,20+,24+/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
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Protein-tyrosine phosphatase 1B hydrolysis of p-nitrophenol phosphate |
Bioorg Med Chem Lett 14: 5081-3 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.078
BindingDB Entry DOI: 10.7270/Q2PV6M4Z |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50370425
(CHEMBL1791291)Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(-[#8]-[#6]-[#6](-[#8])=O)c(c1)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C36H53N11O15/c1-4-17(2)30(34(59)45-21(6-5-9-40-36(38)39)31(56)43-15-27(51)42-14-26(50)41-13-25(37)49)47-33(58)22(46-32(57)23(12-28(52)53)44-18(3)48)11-19-7-8-24(62-16-29(54)55)20(10-19)35(60)61/h7-8,10,17,21-23,30H,4-6,9,11-16H2,1-3H3,(H2,37,49)(H,41,50)(H,42,51)(H,43,56)(H,44,48)(H,45,59)(H,46,57)(H,47,58)(H,52,53)(H,54,55)(H,60,61)(H4,38,39,40)/t17-,21+,22?,23+,30+/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
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Protein-tyrosine phosphatase 1B hydrolysis of p-nitrophenol phosphate |
Bioorg Med Chem Lett 14: 5081-3 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.078
BindingDB Entry DOI: 10.7270/Q2PV6M4Z |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50153248
(CHEMBL183738 | N-acetyl-Asp-{5-(2-Amino-2-carboxy-...)Show SMILES CCC(C)[C@H](NC(=O)C(Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(N)=O Show InChI InChI=1S/C24H32N4O11/c1-4-11(2)20(21(25)34)28-23(36)15(27-22(35)16(9-18(30)31)26-12(3)29)8-13-5-6-17(39-10-19(32)33)14(7-13)24(37)38/h5-7,11,15-16,20H,4,8-10H2,1-3H3,(H2,25,34)(H,26,29)(H,27,35)(H,28,36)(H,30,31)(H,32,33)(H,37,38)/t11?,15?,16-,20-/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
| 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against Protein-tyrosine phosphatase 1B hydrolysis of p-nitrophenol phosphate |
Bioorg Med Chem Lett 14: 5081-3 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.078
BindingDB Entry DOI: 10.7270/Q2PV6M4Z |
More data for this
Ligand-Target Pair | |
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