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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 = 'BDBM50102527'   
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))		BDBM50102527
PNG
(CHEMBL405376 | FCDGFYACYKDV-OH)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=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)=O
Show InChI InChI=1S/C66H85N13O19S2/c1-35(2)55(66(97)98)79-63(94)49(31-54(85)86)76-59(90)44(16-10-11-25-67)72-62(93)47(29-40-19-23-42(81)24-20-40)74-64(95)50-33-99-100-34-51(78-57(88)43(68)26-37-12-6-4-7-13-37)65(96)75-48(30-53(83)84)58(89)69-32-52(82)71-45(27-38-14-8-5-9-15-38)61(92)73-46(28-39-17-21-41(80)22-18-39)60(91)70-36(3)56(87)77-50/h4-9,12-15,17-24,35-36,43-51,55,80-81H,10-11,16,25-34,67-68H2,1-3H3,(H,69,89)(H,70,91)(H,71,82)(H,72,93)(H,73,92)(H,74,95)(H,75,96)(H,76,90)(H,77,87)(H,78,88)(H,79,94)(H,83,84)(H,85,86)(H,97,98)/t36-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-/m0/s1
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MMDB

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PC cid
PC sid
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Similars
PubMed
n/an/an/a 5.70E+3n/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