BDBM50102525 CHEMBL265285::FCDGFYACYMDV-OH

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)=O

InChI Key: InChIKey=NQDZHCIZNKWUMC-HWQSLELRSA-N

Data: 2 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 2 hits for monomerid = 50102525   

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))	BDBM50102525 (CHEMBL265285 | FCDGFYACYMDV-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)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/C65H82N12O19S3/c1-34(2)54(65(95)96)77-62(92)48(30-53(83)84)74-58(88)43(23-24-97-4)70-61(91)46(28-39-17-21-41(79)22-18-39)72-63(93)49-32-98-99-33-50(76-56(86)42(66)25-36-11-7-5-8-12-36)64(94)73-47(29-52(81)82)57(87)67-31-51(80)69-44(26-37-13-9-6-10-14-37)60(90)71-45(27-38-15-19-40(78)20-16-38)59(89)68-35(3)55(85)75-49/h5-22,34-35,42-50,54,78-79H,23-33,66H2,1-4H3,(H,67,87)(H,68,89)(H,69,80)(H,70,91)(H,71,90)(H,72,93)(H,73,94)(H,74,88)(H,75,85)(H,76,86)(H,77,92)(H,81,82)(H,83,84)(H,95,96)/t35-,42-,43-,44-,45-,46-,47-,48-,49-,50-,54-/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	3.56E+3	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
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50102525 (CHEMBL265285 | FCDGFYACYMDV-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)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/C65H82N12O19S3/c1-34(2)54(65(95)96)77-62(92)48(30-53(83)84)74-58(88)43(23-24-97-4)70-61(91)46(28-39-17-21-41(79)22-18-39)72-63(93)49-32-98-99-33-50(76-56(86)42(66)25-36-11-7-5-8-12-36)64(94)73-47(29-52(81)82)57(87)67-31-51(80)69-44(26-37-13-9-6-10-14-37)60(90)71-45(27-38-15-19-40(78)20-16-38)59(89)68-35(3)55(85)75-49/h5-22,34-35,42-50,54,78-79H,23-33,66H2,1-4H3,(H,67,87)(H,68,89)(H,69,80)(H,70,91)(H,71,90)(H,72,93)(H,73,94)(H,74,88)(H,75,85)(H,76,86)(H,77,92)(H,81,82)(H,83,84)(H,95,96)/t35-,42-,43-,44-,45-,46-,47-,48-,49-,50-,54-/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	650	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
					More data for this Ligand-Target Pair