BindingDB logo
myBDB logout

BDBM50085870 2-[4-(2-Acetylamino-2-{1-[2-carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-phenoxy]-malonic acid::CHEMBL355701

SMILES: CC(=O)N[C@@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1cccc2ccccc12

InChI Key: InChIKey=RPVSORRCJQCJIE-KYJUHHDHSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50085870   
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))
BDBM50085870
PNG
(2-[4-(2-Acetylamino-2-{1-[2-carbamoyl-1-(3-naphtha...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C38H45N5O10/c1-23(44)41-29(21-24-14-16-27(17-15-24)53-32(35(48)49)36(50)51)34(47)43-38(18-5-2-6-19-38)37(52)42-30(22-31(39)45)33(46)40-20-8-12-26-11-7-10-25-9-3-4-13-28(25)26/h3-4,7,9-11,13-17,29-30,32H,2,5-6,8,12,18-22H2,1H3,(H2,39,45)(H,40,46)(H,41,44)(H,42,52)(H,43,47)(H,48,49)(H,50,51)/t29-,30-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.75E+3n/an/an/an/an/an/a



National Cancer Institute-Bethesda

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor bound protein 2 binding by ELISA assay method


J Med Chem 43: 911-20 (2000)


Article DOI: 10.1021/jm9904248
BindingDB Entry DOI: 10.7270/Q2WD3ZRD
More data for this
Ligand-Target Pair