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BDBM50075015 CHEMBL333421::[4-((R)-2-Acetylamino-2-{1-[(S)-2-carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-phenoxy]-acetic acid

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

InChI Key: InChIKey=JDPYMLPVGSMNKO-JSOSNVBQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50075015   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Grb2-SH2


(Homo sapiens (Human))
BDBM50075015
PNG
(CHEMBL333421 | [4-((R)-2-Acetylamino-2-{1-[(S)-2-c...)
Show SMILES CC(=O)N[C@H](Cc1ccc(OCC(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C37H45N5O8/c1-24(43)40-30(21-25-14-16-28(17-15-25)50-23-33(45)46)35(48)42-37(18-5-2-6-19-37)36(49)41-31(22-32(38)44)34(47)39-20-8-12-27-11-7-10-26-9-3-4-13-29(26)27/h3-4,7,9-11,13-17,30-31H,2,5-6,8,12,18-23H2,1H3,(H2,38,44)(H,39,47)(H,40,43)(H,41,49)(H,42,48)(H,45,46)/t30-,31+/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 6.50E+4n/an/an/an/an/an/a



National Cancer Institute-Bethesda

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Growth factor receptor bound protein 2 in MDA-MB-453 cells


Bioorg Med Chem Lett 9: 347-52 (1999)


Article DOI: 10.1016/s0960-894x(98)00740-9
BindingDB Entry DOI: 10.7270/Q2VM4BF2
More data for this
Ligand-Target Pair