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SMILES: COC(=O)N1CCC(CC1)(NC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1ccc2ccccc2c1

InChI Key: InChIKey=ZZBAWCBCWCEDEZ-IHLOFXLRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50208570   
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))		BDBM50208570
PNG
((R)-4-(4-(((S)-4-amino-1-(3-(naphthalen-2-yl)propy...)
Show SMILES COC(=O)N1CCC(CC1)(NC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C37H46N5O11P/c1-53-36(49)42-17-14-37(15-18-42,41-33(46)29(21-32(44)45)20-25-8-10-26(11-9-25)23-54(50,51)52)35(48)40-30(22-31(38)43)34(47)39-16-4-5-24-12-13-27-6-2-3-7-28(27)19-24/h2-3,6-13,19,29-30H,4-5,14-18,20-23H2,1H3,(H2,38,43)(H,39,47)(H,40,48)(H,41,46)(H,44,45)(H2,50,51,52)/t29-,30+/m1/s1
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KEGG

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PC cid
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Similars
Article
PubMed
n/an/an/a 106n/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