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BDBM50080833 CHEMBL264635::[1-[1-(1,2-Dicarbamoyl-ethylcarbamoyl)-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-2-(4-phosphonooxy-phenyl)-ethyl]-carbamic acid 3-amino-benzyl ester

SMILES: NC(=O)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(N)=O

InChI Key: InChIKey=XFCUYYUFEKZYMF-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50080833   
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
Grb2-SH2


(Homo sapiens (Human))
BDBM50080833
PNG
(CHEMBL264635 | [1-[1-(1,2-Dicarbamoyl-ethylcarbamo...)
Show SMILES NC(=O)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(N)=O
Show InChI InChI=1S/C30H35N6O11P/c31-20-3-1-2-19(12-20)16-46-30(42)36-25(14-18-6-10-22(11-7-18)47-48(43,44)45)29(41)35-24(13-17-4-8-21(37)9-5-17)28(40)34-23(27(33)39)15-26(32)38/h1-12,23-25,37H,13-16,31H2,(H2,32,38)(H2,33,39)(H,34,40)(H,35,41)(H,36,42)(H2,43,44,45)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 155n/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The copound was tested on a LS250B Perkin-Elmer fluorimeter for Growth factor receptor bound protein 2 equilibrium constant(Kd) by the Michaelis-Ment...


J Med Chem 42: 3737-41 (1999)


Article DOI: 10.1021/jm9911074
BindingDB Entry DOI: 10.7270/Q2MW2GB6
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50080833
PNG
(CHEMBL264635 | [1-[1-(1,2-Dicarbamoyl-ethylcarbamo...)
Show SMILES NC(=O)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(N)=O
Show InChI InChI=1S/C30H35N6O11P/c31-20-3-1-2-19(12-20)16-46-30(42)36-25(14-18-6-10-22(11-7-18)47-48(43,44)45)29(41)35-24(13-17-4-8-21(37)9-5-17)28(40)34-23(27(33)39)15-26(32)38/h1-12,23-25,37H,13-16,31H2,(H2,32,38)(H2,33,39)(H,34,40)(H,35,41)(H,36,42)(H2,43,44,45)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 497n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was evaluated for its potency to inhibit the interaction between Growth factor receptor bound protein 2 and phosphotyrosine-containing p...


J Med Chem 42: 3737-41 (1999)


Article DOI: 10.1021/jm9911074
BindingDB Entry DOI: 10.7270/Q2MW2GB6
More data for this
Ligand-Target Pair