Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 780.9 BDBM50040776

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50040776 (CHEMBL167575 | [(4S,7R,13R,19S)-19-Acetylamino-17-...) Show SMILES CN1[C@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](C(N)=O)C(C)(C)SSC[C@@H](NC(C)=O)C(=O)N(Cc2ccccc2)CC1=O Show InChI InChI=1S/C32H48N10O9S2/c1-18(43)38-21-17-52-53-32(2,3)26(27(33)48)40-28(49)20(13-25(46)47)39-23(44)14-37-29(50)22(11-8-12-36-31(34)35)41(4)24(45)16-42(30(21)51)15-19-9-6-5-7-10-19/h5-7,9-10,20-22,26H,8,11-17H2,1-4H3,(H2,33,48)(H,37,50)(H,38,43)(H,39,44)(H,40,49)(H,46,47)(H4,34,35,36)/t20-,21-,22-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Research and Development Curated by ChEMBL					Assay Description Tested for inhibition of fibrinogen binding to purified GPIIb/IIIa isolated from human platelets and reconstituted in liposomes				J Med Chem 37: 769-80 (1994) BindingDB Entry DOI: 10.7270/Q2445KJB
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