new BindingDB logo
myBDB logout

BDBM50111441 CHEMBL288116::[1-[1-(6-Carbamoyl-cyclohex-2-enylcarbamoyl)-cyclohexylcarbamoyl]-2-(4-phosphonooxy-phenyl)-ethyl]-carbamic acid 3-amino-benzyl ester

SMILES: NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(cc1)C(C(O)=O)C(O)=O)NC(=O)C(O)=O)C(=O)NCCCc1ccc2ccccc2c1

InChI Key: InChIKey=LAQIGICNBGNGJD-NSOVKSMOSA-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 = 50111441   
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))
BDBM50111441
PNG
(CHEMBL288116 | [1-[1-(6-Carbamoyl-cyclohex-2-enylc...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(cc1)C(C(O)=O)C(O)=O)NC(=O)C(O)=O)C(=O)NCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C38H43N5O11/c39-29(44)21-28(31(45)40-18-6-7-22-10-13-24-8-2-3-9-26(24)19-22)42-37(54)38(16-4-1-5-17-38)43-32(46)27(41-33(47)36(52)53)20-23-11-14-25(15-12-23)30(34(48)49)35(50)51/h2-3,8-15,19,27-28,30H,1,4-7,16-18,20-21H2,(H2,39,44)(H,40,45)(H,41,47)(H,42,54)(H,43,46)(H,48,49)(H,50,51)(H,52,53)/t27-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor bound protein 2 SH2-domain binding


J Med Chem 45: 1543-58 (2002)


BindingDB Entry DOI: 10.7270/Q2CN74ND
More data for this
Ligand-Target Pair