BDBM50004056 (S)-3-[4-(8-Amino-octyloxy)-phenyl]-2-benzyloxycarbonylamino-propionic acid::3-[4-(8-Amino-octyloxy)-phenyl]-2-benzyloxycarbonylamino-propionic acid::CHEMBL85268

SMILES: NCCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1

InChI Key: InChIKey=JFPPNMCJDHWZDM-QHCPKHFHSA-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 = 50004056   

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))	BDBM50004056 ((S)-3-[4-(8-Amino-octyloxy)-phenyl]-2-benzyloxycar...) Show SMILES NCCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C25H34N2O5/c26-16-8-3-1-2-4-9-17-31-22-14-12-20(13-15-22)18-23(24(28)29)27-25(30)32-19-21-10-6-5-7-11-21/h5-7,10-15,23H,1-4,8-9,16-19,26H2,(H,27,30)(H,28,29)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.				J Med Chem 35: 4640-2 (1993) BindingDB Entry DOI: 10.7270/Q2SF2V44
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004056 ((S)-3-[4-(8-Amino-octyloxy)-phenyl]-2-benzyloxycar...) Show SMILES NCCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C25H34N2O5/c26-16-8-3-1-2-4-9-17-31-22-14-12-20(13-15-22)18-23(24(28)29)27-25(30)32-19-21-10-6-5-7-11-21/h5-7,10-15,23H,1-4,8-9,16-19,26H2,(H,27,30)(H,28,29)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+4	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