Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 11' and Ligand = 'BDBM497130' 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 11
(Homo sapiens (Human)) | BDBM497130
(US11001561, Compound 105 | US11702392, Compound 10...)Show SMILES COc1c(F)ccc(c1F)-n1c(C)nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c1=O |wD:26.29,(-8.36,-6.44,;-6.82,-6.44,;-6.05,-5.1,;-6.82,-3.77,;-8.36,-3.77,;-6.05,-2.44,;-4.51,-2.44,;-3.74,-3.77,;-4.51,-5.1,;-3.74,-6.44,;-2.2,-3.77,;-1.43,-2.44,;-2.2,-1.1,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,)| Show InChI InChI=1S/C26H28F2N4O2/c1-15-24(30-16(2)32(25(15)33)20-9-8-19(27)22(34-3)21(20)28)31-12-10-26(11-13-31)14-17-6-4-5-7-18(17)23(26)29/h4-9,23H,10-14,29H2,1-3H3/t23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2891B0Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM497130
(US11001561, Compound 105 | US11702392, Compound 10...)Show SMILES COc1c(F)ccc(c1F)-n1c(C)nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c1=O |wD:26.29,(-8.36,-6.44,;-6.82,-6.44,;-6.05,-5.1,;-6.82,-3.77,;-8.36,-3.77,;-6.05,-2.44,;-4.51,-2.44,;-3.74,-3.77,;-4.51,-5.1,;-3.74,-6.44,;-2.2,-3.77,;-1.43,-2.44,;-2.2,-1.1,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,)| Show InChI InChI=1S/C26H28F2N4O2/c1-15-24(30-16(2)32(25(15)33)20-9-8-19(27)22(34-3)21(20)28)31-12-10-26(11-13-31)14-17-6-4-5-7-18(17)23(26)29/h4-9,23H,10-14,29H2,1-3H3/t23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing... |
US Patent US11001561 (2021)
BindingDB Entry DOI: 10.7270/Q2BC42PT |
More data for this
Ligand-Target Pair | |
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