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BDBM50074713 CHEMBL367276::Phosphoric acid mono-{4-[(S)-2-((S)-1-{(S)-1-[(S)-1-((S)-2-butylcarbamoyl-pyrrolidine-1-carbonyl)-2-methyl-propylcarbamoyl]-2-carbamoyl-ethylcarbamoyl}-2-methyl-propylcarbamoyl)-2-propionylamino-ethyl]-phenyl} ester

SMILES: CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CC)C(C)C)C(C)C

InChI Key: InChIKey=URJZOVGTFURSPL-IJUWOWPVSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50074713   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50074713
PNG
(CHEMBL367276 | Phosphoric acid mono-{4-[(S)-2-((S)...)
Show SMILES CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CC)C(C)C)C(C)C
Show InChI InChI=1S/C35H56N7O11P/c1-7-9-16-37-33(47)26-11-10-17-42(26)35(49)30(21(5)6)41-32(46)25(19-27(36)43)39-34(48)29(20(3)4)40-31(45)24(38-28(44)8-2)18-22-12-14-23(15-13-22)53-54(50,51)52/h12-15,20-21,24-26,29-30H,7-11,16-19H2,1-6H3,(H2,36,43)(H,37,47)(H,38,44)(H,39,48)(H,40,45)(H,41,46)(H2,50,51,52)/t24-,25-,26-,29-,30-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Novartis Forschungsinstitut

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of Src protein tryrosine kinase SH2 domain to biotinylated EPQY*EEIPI Peptide by ELISA.


J Med Chem 42: 971-80 (1999)


Article DOI: 10.1021/jm9811007
BindingDB Entry DOI: 10.7270/Q28S4P35
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50074713
PNG
(CHEMBL367276 | Phosphoric acid mono-{4-[(S)-2-((S)...)
Show SMILES CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CC)C(C)C)C(C)C
Show InChI InChI=1S/C35H56N7O11P/c1-7-9-16-37-33(47)26-11-10-17-42(26)35(49)30(21(5)6)41-32(46)25(19-27(36)43)39-34(48)29(20(3)4)40-31(45)24(38-28(44)8-2)18-22-12-14-23(15-13-22)53-54(50,51)52/h12-15,20-21,24-26,29-30H,7-11,16-19H2,1-6H3,(H2,36,43)(H,37,47)(H,38,44)(H,39,48)(H,40,45)(H,41,46)(H2,50,51,52)/t24-,25-,26-,29-,30-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.63E+3n/an/an/an/an/an/a



Novartis Forschungsinstitut

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of Growth factor receptor bound protein 2 to biotinylated KPFY*VNVEF Peptide by ELISA.


J Med Chem 42: 971-80 (1999)


Article DOI: 10.1021/jm9811007
BindingDB Entry DOI: 10.7270/Q28S4P35
More data for this
Ligand-Target Pair