BindingDB logo
myBDB logout

null

SMILES: N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1cccc2ccccc12

InChI Key: InChIKey=FJNCHTYGSVVUGW-HJOGWXRNSA-N

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 = 50210879   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50210879
PNG
(CHEMBL3218531)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C28H34N6O4/c29-22(14-7-15-32-28(30)31)26(36)34-23(21-13-6-11-19-10-4-5-12-20(19)21)17-25(35)33-24(27(37)38)16-18-8-2-1-3-9-18/h1-6,8-13,22-24H,7,14-17,29H2,(H,33,35)(H,34,36)(H,37,38)(H4,30,31,32)/t22-,23-,24-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/a 1.00E+3n/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity to HER2 extracellular domain (unknown origin) by SPR assay

Eur J Med Chem 125: 914-924 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.015
BindingDB Entry DOI: 10.7270/Q2PR7Z4F
More data for this
Ligand-Target Pair