BDBM50156363 CHEMBL3786425

SMILES: Cl.Cl.CC(C)COC(=O)N[C@@H](CN)C(=O)Nc1ccc2nc([nH]c(=O)c2c1)N1CCNCC1

InChI Key: InChIKey=RQLDLNGULYFFFX-SQKCAUCHSA-N

Data: 1 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 1 hit for monomerid = 50156363   

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))	BDBM50156363 (CHEMBL3786425) Show SMILES Cl.Cl.CC(C)COC(=O)N[C@@H](CN)C(=O)Nc1ccc2nc([nH]c(=O)c2c1)N1CCNCC1 |r| Show InChI InChI=1S/C20H29N7O4.2ClH/c1-12(2)11-31-20(30)25-16(10-21)18(29)23-13-3-4-15-14(9-13)17(28)26-19(24-15)27-7-5-22-6-8-27;;/h3-4,9,12,16,22H,5-8,10-11,21H2,1-2H3,(H,23,29)(H,25,30)(H,24,26,28);2*1H/t16-;;/m0../s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of FITC-labelled fibrinogen binding to integrin alpha2b beta3 receptor in human platelet cells				Bioorg Med Chem Lett 26: 1839-43 (2016) BindingDB Entry DOI: 10.7270/Q2NV9M57
					More data for this Ligand-Target Pair