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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50007065'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50007065
PNG
(1-(4-{1-[1-(2-carboxy tertbutyl aminoethylcarbamoy...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(C=C[N+]([O-])=O)cc1)C(=O)NCCNC(=O)OC(C)(C)C |w:25.26|
Show InChI InChI=1S/C28H35N5O10S/c1-18(24(34)29-15-16-30-27(37)42-28(3,4)5)31-25(35)19(2)32-26(36)21-8-12-23(13-9-21)44(40,41)43-22-10-6-20(7-11-22)14-17-33(38)39/h6-14,17-19H,15-16H2,1-5H3,(H,29,34)(H,30,37)(H,31,35)(H,32,36)/t18-,19-/m1/s1
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MMDB

KEGG

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PC cid
PC sid
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Similars
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line

J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair