BDBM50428476 CHEMBL2335172

SMILES: CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=PEWZYMBFKWLSRY-DTOYZPSDSA-N

Data: 1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50428476   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50428476 (CHEMBL2335172) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C46H69N13O15/c1-19(2)35(44(72)51-21(5)39(67)54-29(38(49)66)15-25-18-50-27-12-10-9-11-26(25)27)57-40(68)22(6)52-46(74)37(23(7)60)59-42(70)30(16-33(48)63)56-45(73)36(20(3)4)58-43(71)31(17-34(64)65)55-41(69)28(53-24(8)61)13-14-32(47)62/h9-12,18-23,28-31,35-37,50,60H,13-17H2,1-8H3,(H2,47,62)(H2,48,63)(H2,49,66)(H,51,72)(H,52,74)(H,53,61)(H,54,67)(H,55,69)(H,56,73)(H,57,68)(H,58,71)(H,59,70)(H,64,65)/t21-,22-,23+,28-,29-,30-,31-,35-,36-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Institute of Biostructures and Bioimages Curated by ChEMBL					Assay Description Binding affinity to synthetic peptide mimicking HER2 subdomain 4 (unknown origin) by fluorescence spectroscopic analysis				Eur J Med Chem 61: 116-21 (2013) Article DOI: 10.1016/j.ejmech.2012.09.024 BindingDB Entry DOI: 10.7270/Q2R78GK9
					More data for this Ligand-Target Pair