BDBM50101774 3-Biphenyl-4-yl-3-{[5-(3-guanidino-3-oxo-propyl)-thiophene-2-carbonyl]-amino}-propionic acid::CHEMBL60480

SMILES: OC(=O)CC(NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=IWJUHLMPXHNRPU-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 = 50101774   

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))	BDBM50101774 (3-Biphenyl-4-yl-3-{[5-(3-guanidino-3-oxo-propyl)-t...) Show SMILES OC(=O)CC(NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1ccc(cc1)-c1ccccc1 |t:17| Show InChI InChI=1S/C27H28N4O4S/c32-24(31-27-28-15-4-16-29-27)14-12-21-11-13-23(36-21)26(35)30-22(17-25(33)34)20-9-7-19(8-10-20)18-5-2-1-3-6-18/h1-3,5-11,13,22H,4,12,14-17H2,(H,30,35)(H,33,34)(H2,28,29,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	69	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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50101774 (3-Biphenyl-4-yl-3-{[5-(3-guanidino-3-oxo-propyl)-t...) Show SMILES OC(=O)CC(NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1ccc(cc1)-c1ccccc1 |t:17| Show InChI InChI=1S/C27H28N4O4S/c32-24(31-27-28-15-4-16-29-27)14-12-21-11-13-23(36-21)26(35)30-22(17-25(33)34)20-9-7-19(8-10-20)18-5-2-1-3-6-18/h1-3,5-11,13,22H,4,12,14-17H2,(H,30,35)(H,33,34)(H2,28,29,31,32)	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))	BDBM50101774 (3-Biphenyl-4-yl-3-{[5-(3-guanidino-3-oxo-propyl)-t...) Show SMILES OC(=O)CC(NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1ccc(cc1)-c1ccccc1 |t:17| Show InChI InChI=1S/C27H28N4O4S/c32-24(31-27-28-15-4-16-29-27)14-12-21-11-13-23(36-21)26(35)30-22(17-25(33)34)20-9-7-19(8-10-20)18-5-2-1-3-6-18/h1-3,5-11,13,22H,4,12,14-17H2,(H,30,35)(H,33,34)(H2,28,29,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.05E+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