BDBM50062792 3-((S)-4-Carboxymethyl-1-{2-[4-(2-dimethylamino-ethyl)-benzoylamino]-acetyl}-3-oxo-piperazin-2-yl)-propionic acid methyl ester::CHEMBL145986

SMILES: COC(=O)CC[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(CCN(C)C)cc1

InChI Key: InChIKey=ZBUOTFJLJGZCTC-SFHVURJKSA-N

Data: 3 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 3 hits for monomerid = 50062792   

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))	BDBM50062792 (3-((S)-4-Carboxymethyl-1-{2-[4-(2-dimethylamino-et...) Show SMILES COC(=O)CC[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(CCN(C)C)cc1 Show InChI InChI=1S/C23H32N4O7/c1-25(2)11-10-16-4-6-17(7-5-16)22(32)24-14-19(28)27-13-12-26(15-20(29)30)23(33)18(27)8-9-21(31)34-3/h4-7,18H,8-15H2,1-3H3,(H,24,32)(H,29,30)/t18-/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	37	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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50062792 (3-((S)-4-Carboxymethyl-1-{2-[4-(2-dimethylamino-et...) Show SMILES COC(=O)CC[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(CCN(C)C)cc1 Show InChI InChI=1S/C23H32N4O7/c1-25(2)11-10-16-4-6-17(7-5-16)22(32)24-14-19(28)27-13-12-26(15-20(29)30)23(33)18(27)8-9-21(31)34-3/h4-7,18H,8-15H2,1-3H3,(H,24,32)(H,29,30)/t18-/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	7.30E+3	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 guinea pig 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))	BDBM50062792 (3-((S)-4-Carboxymethyl-1-{2-[4-(2-dimethylamino-et...) Show SMILES COC(=O)CC[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(CCN(C)C)cc1 Show InChI InChI=1S/C23H32N4O7/c1-25(2)11-10-16-4-6-17(7-5-16)22(32)24-14-19(28)27-13-12-26(15-20(29)30)23(33)18(27)8-9-21(31)34-3/h4-7,18H,8-15H2,1-3H3,(H,24,32)(H,29,30)/t18-/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	2.30E+3	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