BDBM50055896 3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxazol-5-yl]-acetylamino}-propionic acid; TFA::CHEMBL141632::CHEMBL22599

SMILES: NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1

InChI Key: InChIKey=NENLGQJHPDXGES-UHFFFAOYSA-N

Data: 16 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 16 hits for monomerid = 50055896   

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))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of Fibrinogen Receptor integrin alphaIIb-beta3 in ELISA				J Med Chem 40: 50-60 (1997) Article DOI: 10.1021/jm960626t BindingDB Entry DOI: 10.7270/Q2HD7TRV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in human platelet rich plasma (hPRP)				Bioorg Med Chem Lett 10: 449-52 (2000) BindingDB Entry DOI: 10.7270/Q21Z43NV
					More data for this Ligand-Target Pair
Integrin alpha M/beta-2 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt 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
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of Mac-1 integrin (alphaM-beta2)				J Med Chem 40: 50-60 (1997) Article DOI: 10.1021/jm960626t BindingDB Entry DOI: 10.7270/Q2HD7TRV
					More data for this Ligand-Target Pair
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of interaction between HUVEC cells and fibronectin				J Med Chem 40: 50-60 (1997) Article DOI: 10.1021/jm960626t BindingDB Entry DOI: 10.7270/Q2HD7TRV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human platelet aggregation induced by ADP				J Med Chem 40: 50-60 (1997) Article DOI: 10.1021/jm960626t BindingDB Entry DOI: 10.7270/Q2HD7TRV
					More data for this Ligand-Target Pair
Integrin alpha M/beta-2 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt 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
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of Mac-1 interaction with ICAM				J Med Chem 40: 50-60 (1997) Article DOI: 10.1021/jm960626t BindingDB Entry DOI: 10.7270/Q2HD7TRV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to activated human platelets				J Med Chem 40: 50-60 (1997) Article DOI: 10.1021/jm960626t BindingDB Entry DOI: 10.7270/Q2HD7TRV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in citrated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhbition of platelet aggregation in heparin treated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in human platelet rich plasma (hPRP)				Bioorg Med Chem Lett 10: 449-52 (2000) BindingDB Entry DOI: 10.7270/Q21Z43NV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of Platelet glycoprotein IIb/Platelet glycoprotein IIIa binding in unactivated human platelets				Bioorg Med Chem Lett 10: 449-52 (2000) BindingDB Entry DOI: 10.7270/Q21Z43NV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of GPIIb/IIIa binding in activated human platelets				Bioorg Med Chem Lett 10: 449-52 (2000) BindingDB Entry DOI: 10.7270/Q21Z43NV
					More data for this Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of VLA-4 integrin alpha4-beta1 interaction with VCAM				J Med Chem 40: 50-60 (1997) Article DOI: 10.1021/jm960626t BindingDB Entry DOI: 10.7270/Q2HD7TRV
					More data for this Ligand-Target Pair