BDBM50062796 3-{(S)-4-[2-(4-Carbamimidoyl-benzoylamino)-acetyl]-3-carboxymethyl-2-oxo-piperazin-1-yl}-propionic acid::CHEMBL344506

SMILES: NC(=N)c1ccc(cc1)C(=O)NCC(=O)N1CCN(CCC(O)=O)C(=O)[C@@H]1CC(O)=O

InChI Key: InChIKey=QYULEGDJRZOHHV-ZDUSSCGKSA-N

Data: 2 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 2 hits for monomerid = 50062796   

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))	BDBM50062796 (3-{(S)-4-[2-(4-Carbamimidoyl-benzoylamino)-acetyl]...) Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC(=O)N1CCN(CCC(O)=O)C(=O)[C@@H]1CC(O)=O Show InChI InChI=1S/C19H23N5O7/c20-17(21)11-1-3-12(4-2-11)18(30)22-10-14(25)24-8-7-23(6-5-15(26)27)19(31)13(24)9-16(28)29/h1-4,13H,5-10H2,(H3,20,21)(H,22,30)(H,26,27)(H,28,29)/t13-/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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Concentration required to inhibit adenosine diphosphate (ADP) induced aggregation of human platelets by 50% in vitro.				J Med Chem 41: 489-502 (1998) Article DOI: 10.1021/jm970235u BindingDB Entry DOI: 10.7270/Q2571B4W
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50062796 (3-{(S)-4-[2-(4-Carbamimidoyl-benzoylamino)-acetyl]...) Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC(=O)N1CCN(CCC(O)=O)C(=O)[C@@H]1CC(O)=O Show InChI InChI=1S/C19H23N5O7/c20-17(21)11-1-3-12(4-2-11)18(30)22-10-14(25)24-8-7-23(6-5-15(26)27)19(31)13(24)9-16(28)29/h1-4,13H,5-10H2,(H3,20,21)(H,22,30)(H,26,27)(H,28,29)/t13-/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	63	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.				J Med Chem 41: 489-502 (1998) Article DOI: 10.1021/jm970235u BindingDB Entry DOI: 10.7270/Q2571B4W
					More data for this Ligand-Target Pair