BDBM50040739 CHEMBL165211::Cyclo-S-S[Mba-P(Ne-Me)RGD-Man]

SMILES: CN1[C@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(=O)Nc2ccccc2SSc2ccccc2C(=O)N2CCC[C@H]2C1=O

InChI Key: InChIKey=PJJPYAYJKNOWGX-VSKRKVRLSA-N

Data: 1 KI

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 = 50040739   

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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50040739 (CHEMBL165211 | Cyclo-S-S[Mba-P(Ne-Me)RGD-Man]) Show SMILES CN1[C@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(=O)Nc2ccccc2SSc2ccccc2C(=O)N2CCC[C@H]2C1=O Show InChI InChI=1S/C31H38N8O7S2/c1-38-21(10-6-14-34-31(32)33)28(44)35-17-25(40)36-20(16-26(41)42)27(43)37-19-9-3-5-13-24(19)48-47-23-12-4-2-8-18(23)29(45)39-15-7-11-22(39)30(38)46/h2-5,8-9,12-13,20-22H,6-7,10-11,14-17H2,1H3,(H,35,44)(H,36,40)(H,37,43)(H,41,42)(H4,32,33,34)/t20-,21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Research and Development Curated by ChEMBL					Assay Description Tested for inhibition of fibrinogen binding to purified GPIIb/IIIa isolated from human platelets and reconstituted in liposomes				J Med Chem 37: 769-80 (1994) BindingDB Entry DOI: 10.7270/Q2445KJB
					More data for this Ligand-Target Pair