BDBM50166684 2-Methyl-3-{5-[3-(pyridin-2-ylamino)-propoxy]-indol-1-yl}-propionic acid::CHEMBL371337

SMILES: CC(Cn1ccc2cc(OCCCNc3ccccn3)ccc12)C(O)=O

InChI Key: InChIKey=HEKMCUFRMXWTPN-UHFFFAOYSA-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 = 50166684   

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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50166684 (2-Methyl-3-{5-[3-(pyridin-2-ylamino)-propoxy]-indo...) Show SMILES CC(Cn1ccc2cc(OCCCNc3ccccn3)ccc12)C(O)=O Show InChI InChI=1S/C20H23N3O3/c1-15(20(24)25)14-23-11-8-16-13-17(6-7-18(16)23)26-12-4-10-22-19-5-2-3-9-21-19/h2-3,5-9,11,13,15H,4,10,12,14H2,1H3,(H,21,22)(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair