BDBM50146485 3-(R)-Benzo[1,3]dioxol-5-yl-3-({(R)-5-oxo-1-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-phenyl]-pyrrolidine-3-carbonyl}-amino)-propionic acid::CHEMBL318915

SMILES: OC(=O)C[C@@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1

InChI Key: InChIKey=DRZSFOQHHTVBQV-VQIMIIECSA-N

Data: 2 KI

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 = 50146485   

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))	BDBM50146485 (3-(R)-Benzo[1,3]dioxol-5-yl-3-({(R)-5-oxo-1-[3-(1,...) Show SMILES OC(=O)C[C@@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21| Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)/t16-,19-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).				Bioorg Med Chem Lett 14: 2905-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.033 BindingDB Entry DOI: 10.7270/Q2416WJD
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50146485 (3-(R)-Benzo[1,3]dioxol-5-yl-3-({(R)-5-oxo-1-[3-(1,...) Show SMILES OC(=O)C[C@@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21| Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)/t16-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).				Bioorg Med Chem Lett 14: 2905-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.033 BindingDB Entry DOI: 10.7270/Q2416WJD
					More data for this Ligand-Target Pair