BDBM50102530 CHEMBL414960::FCDGFYACYMDVK-NH2

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)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)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=BRHNHVXOHQBAOV-SNMCYHAESA-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 = 50102530   

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))	BDBM50102530 (CHEMBL414960 | FCDGFYACYMDVK-NH2) 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)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)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C71H95N15O19S3/c1-38(2)59(71(105)78-47(60(74)94)17-11-12-27-72)86-68(102)53(34-58(92)93)83-64(98)48(26-28-106-4)79-67(101)51(32-43-20-24-45(88)25-21-43)81-69(103)54-36-107-108-37-55(85-62(96)46(73)29-40-13-7-5-8-14-40)70(104)82-52(33-57(90)91)63(97)75-35-56(89)77-49(30-41-15-9-6-10-16-41)66(100)80-50(31-42-18-22-44(87)23-19-42)65(99)76-39(3)61(95)84-54/h5-10,13-16,18-25,38-39,46-55,59,87-88H,11-12,17,26-37,72-73H2,1-4H3,(H2,74,94)(H,75,97)(H,76,99)(H,77,89)(H,78,105)(H,79,101)(H,80,100)(H,81,103)(H,82,104)(H,83,98)(H,84,95)(H,85,96)(H,86,102)(H,90,91)(H,92,93)/t39-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	830	n/a	n/a	n/a	n/a	n/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
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