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SMILES: Cc1ccc2n(CCC(=O)N3CCC(CC3)(NC(=O)[C@@H](CC(O)=O)Cc3ccc(CP(O)(O)=O)cc3)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc3ccc4ccccc4c3)ccc2c1

InChI Key: InChIKey=RQRRMQVQIOYEMU-RGULYWFUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50208563   
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
Growth factor receptor-bound protein 2


(Homo sapiens (Human))		BDBM50208563
PNG
((R)-4-(4-(((S)-4-amino-1-(3-(naphthalen-2-yl)propy...)
Show SMILES Cc1ccc2n(CCC(=O)N3CCC(CC3)(NC(=O)[C@@H](CC(O)=O)Cc3ccc(CP(O)(O)=O)cc3)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc3ccc4ccccc4c3)ccc2c1
Show InChI InChI=1S/C47H55N6O10P/c1-31-8-15-40-37(25-31)16-21-52(40)22-17-42(55)53-23-18-47(19-24-53,51-44(58)38(28-43(56)57)27-33-9-11-34(12-10-33)30-64(61,62)63)46(60)50-39(29-41(48)54)45(59)49-20-4-5-32-13-14-35-6-2-3-7-36(35)26-32/h2-3,6-16,21,25-26,38-39H,4-5,17-20,22-24,27-30H2,1H3,(H2,48,54)(H,49,59)(H,50,60)(H,51,58)(H,56,57)(H2,61,62,63)/t38-,39+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 458n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Grb2-SH2 domain by surface plasmon resonance

J Med Chem 50: 1978-82 (2007)


Article DOI: 10.1021/jm0614073
BindingDB Entry DOI: 10.7270/Q29P31BB
More data for this
Ligand-Target Pair