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SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=GQTHEKLQXOCSNG-WEURABCFSA-N

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50118654   
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 Lck


(Homo sapiens (Human))
BDBM50118654
PNG
(CHEMBL328034 | Ca-DOPA-EEIE)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C39H49N5O17/c1-3-19(2)34(38(59)43-24(39(60)61)9-15-33(54)55)44-36(57)23(8-14-32(52)53)41-35(56)22(7-13-31(50)51)42-37(58)25(16-21-5-11-27(46)29(48)18-21)40-30(49)12-6-20-4-10-26(45)28(47)17-20/h4-6,10-12,17-19,22-25,34,45-48H,3,7-9,13-16H2,1-2H3,(H,40,49)(H,41,56)(H,42,58)(H,43,59)(H,44,57)(H,50,51)(H,52,53)(H,54,55)(H,60,61)/b12-6+/t19-,22-,23-,24-,25-,34-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Mogam Biotechnology Research Institute

Curated by ChEMBL


Assay Description
Affinity for GST-Lck-SH2 domain in ELISA


Bioorg Med Chem Lett 12: 2711-4 (2002)


BindingDB Entry DOI: 10.7270/Q2H131C3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50118654
PNG
(CHEMBL328034 | Ca-DOPA-EEIE)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C39H49N5O17/c1-3-19(2)34(38(59)43-24(39(60)61)9-15-33(54)55)44-36(57)23(8-14-32(52)53)41-35(56)22(7-13-31(50)51)42-37(58)25(16-21-5-11-27(46)29(48)18-21)40-30(49)12-6-20-4-10-26(45)28(47)17-20/h4-6,10-12,17-19,22-25,34,45-48H,3,7-9,13-16H2,1-2H3,(H,40,49)(H,41,56)(H,42,58)(H,43,59)(H,44,57)(H,50,51)(H,52,53)(H,54,55)(H,60,61)/b12-6+/t19-,22-,23-,24-,25-,34-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



Mogam Biotechnology Research Institute

Curated by ChEMBL


Assay Description
Affinity for GST- Src-SH2 domain in ELISA


Bioorg Med Chem Lett 12: 2711-4 (2002)


BindingDB Entry DOI: 10.7270/Q2H131C3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50118654
PNG
(CHEMBL328034 | Ca-DOPA-EEIE)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C39H49N5O17/c1-3-19(2)34(38(59)43-24(39(60)61)9-15-33(54)55)44-36(57)23(8-14-32(52)53)41-35(56)22(7-13-31(50)51)42-37(58)25(16-21-5-11-27(46)29(48)18-21)40-30(49)12-6-20-4-10-26(45)28(47)17-20/h4-6,10-12,17-19,22-25,34,45-48H,3,7-9,13-16H2,1-2H3,(H,40,49)(H,41,56)(H,42,58)(H,43,59)(H,44,57)(H,50,51)(H,52,53)(H,54,55)(H,60,61)/b12-6+/t19-,22-,23-,24-,25-,34-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



Mogam Biotechnology Research Institute

Curated by ChEMBL


Assay Description
Affinity for GST-Fyn-SH2 domain in ELISA


Bioorg Med Chem Lett 12: 2711-4 (2002)


BindingDB Entry DOI: 10.7270/Q2H131C3
More data for this
Ligand-Target Pair