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SMILES: CC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N(C)CCCC1CCCCC1

InChI Key: InChIKey=MJXIDCYMAKGNKJ-GOTSBHOMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50289744   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289744
PNG
(CHEMBL301845 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N(C)CCCC1CCCCC1
Show InChI InChI=1S/C25H40N3O7P/c1-4-22(25(31)28(3)16-8-11-19-9-6-5-7-10-19)27-24(30)23(26-18(2)29)17-20-12-14-21(15-13-20)35-36(32,33)34/h12-15,19,22-23H,4-11,16-17H2,1-3H3,(H,26,29)(H,27,30)(H2,32,33,34)/t22-,23-/m0/s1
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Article
n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to ABL SH2 domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50289744
PNG
(CHEMBL301845 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N(C)CCCC1CCCCC1
Show InChI InChI=1S/C25H40N3O7P/c1-4-22(25(31)28(3)16-8-11-19-9-6-5-7-10-19)27-24(30)23(26-18(2)29)17-20-12-14-21(15-13-20)35-36(32,33)34/h12-15,19,22-23H,4-11,16-17H2,1-3H3,(H,26,29)(H,27,30)(H2,32,33,34)/t22-,23-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
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PC cid
PC sid
UniChem

Similars

Article
n/an/a 5.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [35S]-labeled SH2-GST Src binding to phospho-PDGF receptor intracellular domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289744
PNG
(CHEMBL301845 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N(C)CCCC1CCCCC1
Show InChI InChI=1S/C25H40N3O7P/c1-4-22(25(31)28(3)16-8-11-19-9-6-5-7-10-19)27-24(30)23(26-18(2)29)17-20-12-14-21(15-13-20)35-36(32,33)34/h12-15,19,22-23H,4-11,16-17H2,1-3H3,(H,26,29)(H,27,30)(H2,32,33,34)/t22-,23-/m0/s1
PDB
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Reactome pathway
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UniChem

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Article
n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to ABL SH2 domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50289744
PNG
(CHEMBL301845 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N(C)CCCC1CCCCC1
Show InChI InChI=1S/C25H40N3O7P/c1-4-22(25(31)28(3)16-8-11-19-9-6-5-7-10-19)27-24(30)23(26-18(2)29)17-20-12-14-21(15-13-20)35-36(32,33)34/h12-15,19,22-23H,4-11,16-17H2,1-3H3,(H,26,29)(H,27,30)(H2,32,33,34)/t22-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a 2.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [35S]-labeled SH2-GST Src binding to phospho-PDGF receptor intracellular domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair