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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50102528'   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50102528
PNG
(CHEMBL437641 | FCGDGFYACYMDV-OH)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C67H85N13O20S3/c1-35(2)56(67(99)100)80-65(97)49(30-55(87)88)77-61(93)44(23-24-101-4)74-64(96)47(28-40-17-21-42(82)22-18-40)76-66(98)51-34-103-102-33-50(79-58(90)43(68)25-37-11-7-5-8-12-37)60(92)70-32-53(84)73-48(29-54(85)86)59(91)69-31-52(83)72-45(26-38-13-9-6-10-14-38)63(95)75-46(27-39-15-19-41(81)20-16-39)62(94)71-36(3)57(89)78-51/h5-22,35-36,43-51,56,81-82H,23-34,68H2,1-4H3,(H,69,91)(H,70,92)(H,71,94)(H,72,83)(H,73,84)(H,74,96)(H,75,95)(H,76,98)(H,77,93)(H,78,89)(H,79,90)(H,80,97)(H,85,86)(H,87,88)(H,99,100)/t36-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-/m0/s1
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MMDB

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Similars
PubMed
n/an/an/a 760n/an/an/an/an/a



University of Pennsylvania School of Medicine

Curated by ChEMBL


Assay Description
Dissociation constant for peptide inhibtor binding to HER2 receptor

J Med Chem 44: 2565-74 (2001)


BindingDB Entry DOI: 10.7270/Q2P55MTN
More data for this
Ligand-Target Pair