BDBM50101775 3-{[5-(3-Guanidino-3-oxo-propyl)-thiophene-2-carbonyl]-amino}-3-pyridin-3-yl-propionic acid::CHEMBL305095

SMILES: OC(=O)CC(NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1cccnc1

InChI Key: InChIKey=VTJWAOVRSHEKTB-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 = 50101775   

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))	BDBM50101775 (3-{[5-(3-Guanidino-3-oxo-propyl)-thiophene-2-carbo...) Show SMILES OC(=O)CC(NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1cccnc1 |t:17| Show InChI InChI=1S/C20H23N5O4S/c26-17(25-20-22-9-2-10-23-20)7-5-14-4-6-16(30-14)19(29)24-15(11-18(27)28)13-3-1-8-21-12-13/h1,3-4,6,8,12,15H,2,5,7,9-11H2,(H,24,29)(H,27,28)(H2,22,23,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	35	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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50101775 (3-{[5-(3-Guanidino-3-oxo-propyl)-thiophene-2-carbo...) Show SMILES OC(=O)CC(NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1cccnc1 |t:17| Show InChI InChI=1S/C20H23N5O4S/c26-17(25-20-22-9-2-10-23-20)7-5-14-4-6-16(30-14)19(29)24-15(11-18(27)28)13-3-1-8-21-12-13/h1,3-4,6,8,12,15H,2,5,7,9-11H2,(H,24,29)(H,27,28)(H2,22,23,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.61E+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))	BDBM50101775 (3-{[5-(3-Guanidino-3-oxo-propyl)-thiophene-2-carbo...) Show SMILES OC(=O)CC(NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1cccnc1 |t:17| Show InChI InChI=1S/C20H23N5O4S/c26-17(25-20-22-9-2-10-23-20)7-5-14-4-6-16(30-14)19(29)24-15(11-18(27)28)13-3-1-8-21-12-13/h1,3-4,6,8,12,15H,2,5,7,9-11H2,(H,24,29)(H,27,28)(H2,22,23,25,26)	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 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