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BDBM50093128 (4-{(S)-2-Acetylamino-2-[1-((1R,2S)-2-carbamoyl-cyclohexylcarbamoyl)-cyclohexylcarbamoyl]-ethyl}-benzyl)-hydroxymethyl-phosphinic acid::CHEMBL77253

SMILES: CC(=O)N[C@@H](Cc1ccc(CP(O)(O)C=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O

InChI Key: InChIKey=UCEPIIWVYMBPRT-ZRBLBEILSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50093128   
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))		BDBM50093128
PNG
((4-{(S)-2-Acetylamino-2-[1-((1R,2S)-2-carbamoyl-cy...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)C=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O
Show InChI InChI=1S/C27H41N4O7P/c1-18(33)29-23(15-19-9-11-20(12-10-19)16-39(37,38)17-32)25(35)31-27(13-5-2-6-14-27)26(36)30-22-8-4-3-7-21(22)24(28)34/h9-12,17,21-23,37-39H,2-8,13-16H2,1H3,(H2,28,34)(H,29,33)(H,30,36)(H,31,35)/t21-,22+,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain

Bioorg Med Chem Lett 10: 2337-41 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2VDQ
More data for this
Ligand-Target Pair