BDBM50078435 (S)-2-(2-Ethoxy-ethanesulfonylamino)-3-{[5-(2-piperidin-4-yl-ethyl)-thieno[3,2-b]thiophene-2-carbonyl]-amino}-propionic acid::CHEMBL80819

SMILES: CCOCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)C(O)=O

InChI Key: InChIKey=SVHYTSHIZOYMFB-INIZCTEOSA-N

Data: 1 IC50  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 2 hits for monomerid = 50078435   

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))	BDBM50078435 ((S)-2-(2-Ethoxy-ethanesulfonylamino)-3-{[5-(2-pipe...) Show SMILES CCOCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)C(O)=O Show InChI InChI=1S/C21H31N3O6S3/c1-2-30-9-10-33(28,29)24-16(21(26)27)13-23-20(25)19-12-18-17(32-19)11-15(31-18)4-3-14-5-7-22-8-6-14/h11-12,14,16,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of L-762,745 from Fibrinogen Receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078435 ((S)-2-(2-Ethoxy-ethanesulfonylamino)-3-{[5-(2-pipe...) Show SMILES CCOCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)C(O)=O Show InChI InChI=1S/C21H31N3O6S3/c1-2-30-9-10-33(28,29)24-16(21(26)27)13-23-20(25)19-12-18-17(32-19)11-15(31-18)4-3-14-5-7-22-8-6-14/h11-12,14,16,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair