BDBM50101758 3-Benzo[1,3]dioxol-5-yl-3-{[5-(2-guanidinocarbonyl-cyclopropyl)-thiophene-2-carbonyl]-amino}-propionic acid::CHEMBL64179

SMILES: OC(=O)CC(NC(=O)c1ccc(s1)C1CC1C(=O)NC1=NCCCN1)c1ccc2OCOc2c1

InChI Key: InChIKey=NPDBORVFSYLFHX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50101758   

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))	BDBM50101758 (3-Benzo[1,3]dioxol-5-yl-3-{[5-(2-guanidinocarbonyl...) Show SMILES OC(=O)CC(NC(=O)c1ccc(s1)C1CC1C(=O)NC1=NCCCN1)c1ccc2OCOc2c1 |t:21| Show InChI InChI=1S/C23H24N4O6S/c28-20(29)10-15(12-2-3-16-17(8-12)33-11-32-16)26-22(31)19-5-4-18(34-19)13-9-14(13)21(30)27-23-24-6-1-7-25-23/h2-5,8,13-15H,1,6-7,9-11H2,(H,26,31)(H,28,29)(H2,24,25,27,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Concentration required to reduce binding of Kistrin to Vitronectin receptor (alpha V beta 3) by 50%				Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50101758 (3-Benzo[1,3]dioxol-5-yl-3-{[5-(2-guanidinocarbonyl...) Show SMILES OC(=O)CC(NC(=O)c1ccc(s1)C1CC1C(=O)NC1=NCCCN1)c1ccc2OCOc2c1 |t:21| Show InChI InChI=1S/C23H24N4O6S/c28-20(29)10-15(12-2-3-16-17(8-12)33-11-32-16)26-22(31)19-5-4-18(34-19)13-9-14(13)21(30)27-23-24-6-1-7-25-23/h2-5,8,13-15H,1,6-7,9-11H2,(H,26,31)(H,28,29)(H2,24,25,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Concentration required to reduce binding of human 293 cell attachment to immobilized vitronectin receptor(Vn/293) by 50%				Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50101758 (3-Benzo[1,3]dioxol-5-yl-3-{[5-(2-guanidinocarbonyl...) Show SMILES OC(=O)CC(NC(=O)c1ccc(s1)C1CC1C(=O)NC1=NCCCN1)c1ccc2OCOc2c1 |t:21| Show InChI InChI=1S/C23H24N4O6S/c28-20(29)10-15(12-2-3-16-17(8-12)33-11-32-16)26-22(31)19-5-4-18(34-19)13-9-14(13)21(30)27-23-24-6-1-7-25-23/h2-5,8,13-15H,1,6-7,9-11H2,(H,26,31)(H,28,29)(H2,24,25,27,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Concentration required to reduce binding of fibrinogen (Fg) to alpha IIb beta3 integrin by 50%				Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930
					More data for this Ligand-Target Pair