BDBM50039601 (4S,7R,13R,16S)-16-Acetylamino-7-carboxymethyl-13-(3-guanidino-propyl)-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraaza-cycloheptadecane-4-carboxylic acid::CHEMBL421348

SMILES: CC(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(O)=O

InChI Key: InChIKey=HURPVXRLYUYEPQ-FDYHWXHSSA-N

Data: 1 IC50

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 = 50039601   

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))	BDBM50039601 ((4S,7R,13R,16S)-16-Acetylamino-7-carboxymethyl-13-...) Show SMILES CC(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(O)=O Show InChI InChI=1S/C20H32N8O9S2/c1-9(29)25-12-7-38-39-8-13(19(36)37)28-17(34)11(5-15(31)32)26-14(30)6-24-16(33)10(27-18(12)35)3-2-4-23-20(21)22/h10-13H,2-8H2,1H3,(H,24,33)(H,25,29)(H,26,30)(H,27,35)(H,28,34)(H,31,32)(H,36,37)(H4,21,22,23)/t10-,11-,12-,13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair