BDBM50061865 3-{3-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-amino]-propionylamino}-3-(3,5-difluoro-phenyl)-propionic acid::CHEMBL137532

SMILES: NC(=N)c1ccc2oc(cc2c1)C(=O)NCCC(=O)NC(CC(O)=O)c1cc(F)cc(F)c1

InChI Key: InChIKey=DEGSDJIFZLDNIE-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 = 50061865   

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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50061865 (3-{3-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-amin...) Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)NCCC(=O)NC(CC(O)=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C22H20F2N4O5/c23-14-6-12(7-15(24)9-14)16(10-20(30)31)28-19(29)3-4-27-22(32)18-8-13-5-11(21(25)26)1-2-17(13)33-18/h1-2,5-9,16H,3-4,10H2,(H3,25,26)(H,27,32)(H,28,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibitory activity of fibrinogen binding to purified immobilized glycoprotein (fibrinogen receptor).				J Med Chem 40: 4308-18 (1998) Article DOI: 10.1021/jm9704863 BindingDB Entry DOI: 10.7270/Q2HM57KW
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50061865 (3-{3-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-amin...) Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)NCCC(=O)NC(CC(O)=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C22H20F2N4O5/c23-14-6-12(7-15(24)9-14)16(10-20(30)31)28-19(29)3-4-27-22(32)18-8-13-5-11(21(25)26)1-2-17(13)33-18/h1-2,5-9,16H,3-4,10H2,(H3,25,26)(H,27,32)(H,28,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of platelet aggregation induced by 20 microM adenosine 5'-diphosphate (ADP) in human platelet rich plasma (h-PRP).				J Med Chem 40: 4308-18 (1998) Article DOI: 10.1021/jm9704863 BindingDB Entry DOI: 10.7270/Q2HM57KW
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50061865 (3-{3-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-amin...) Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)NCCC(=O)NC(CC(O)=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C22H20F2N4O5/c23-14-6-12(7-15(24)9-14)16(10-20(30)31)28-19(29)3-4-27-22(32)18-8-13-5-11(21(25)26)1-2-17(13)33-18/h1-2,5-9,16H,3-4,10H2,(H3,25,26)(H,27,32)(H,28,29)(H,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to the purified immobilized vitronectin receptor (alpha v, beta 3).				J Med Chem 40: 4308-18 (1998) Article DOI: 10.1021/jm9704863 BindingDB Entry DOI: 10.7270/Q2HM57KW
					More data for this Ligand-Target Pair