BDBM50143842 3-{[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spiro[4.5]decane-8-carbonyl]-amino}-propionic acid::CHEMBL65477

SMILES: NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)NCCC(O)=O)C1=O

InChI Key: InChIKey=CMUNADRSMWGGGA-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50143842   

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))	BDBM50143842 (3-{[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spi...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)NCCC(O)=O)C1=O Show InChI InChI=1S/C19H25N5O4/c20-16(21)13-1-3-14(4-2-13)24-12-8-19(17(24)27)6-10-23(11-7-19)18(28)22-9-5-15(25)26/h1-4H,5-12H2,(H3,20,21)(H,22,28)(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to Vitronectin receptor (alpha V beta 3)				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50143842 (3-{[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spi...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)NCCC(O)=O)C1=O Show InChI InChI=1S/C19H25N5O4/c20-16(21)13-1-3-14(4-2-13)24-12-8-19(17(24)27)6-10-23(11-7-19)18(28)22-9-5-15(25)26/h1-4H,5-12H2,(H3,20,21)(H,22,28)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Tested for inhibition of the binding of fibrinogen to purified human GPIIb-IIIa in a 96-well format (ELISA assay)				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50143842 (3-{[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spi...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)NCCC(O)=O)C1=O Show InChI InChI=1S/C19H25N5O4/c20-16(21)13-1-3-14(4-2-13)24-12-8-19(17(24)27)6-10-23(11-7-19)18(28)22-9-5-15(25)26/h1-4H,5-12H2,(H3,20,21)(H,22,28)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Tested for inhibition of the binding of fibrinogen to purified human GPIIb-IIIa in a 96-well format (ELISA assay)				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50143842 (3-{[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spi...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)NCCC(O)=O)C1=O Show InChI InChI=1S/C19H25N5O4/c20-16(21)13-1-3-14(4-2-13)24-12-8-19(17(24)27)6-10-23(11-7-19)18(28)22-9-5-15(25)26/h1-4H,5-12H2,(H3,20,21)(H,22,28)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of citrated human (h-PRP) platelet aggregation induced by 5 uM TRAP6				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50143842 (3-{[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spi...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)NCCC(O)=O)C1=O Show InChI InChI=1S/C19H25N5O4/c20-16(21)13-1-3-14(4-2-13)24-12-8-19(17(24)27)6-10-23(11-7-19)18(28)22-9-5-15(25)26/h1-4H,5-12H2,(H3,20,21)(H,22,28)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	365	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human platelet (h-PRP) aggregation induced by 5 microM TRAP6 with PPACK				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50143842 (3-{[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spi...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)NCCC(O)=O)C1=O Show InChI InChI=1S/C19H25N5O4/c20-16(21)13-1-3-14(4-2-13)24-12-8-19(17(24)27)6-10-23(11-7-19)18(28)22-9-5-15(25)26/h1-4H,5-12H2,(H3,20,21)(H,22,28)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human platelet (h-PRP) aggregation induced by 20 microM ADP with PPACK				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50143842 (3-{[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spi...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)NCCC(O)=O)C1=O Show InChI InChI=1S/C19H25N5O4/c20-16(21)13-1-3-14(4-2-13)24-12-8-19(17(24)27)6-10-23(11-7-19)18(28)22-9-5-15(25)26/h1-4H,5-12H2,(H3,20,21)(H,22,28)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of platelet aggregation induced by 20 microM adenosine 5-diphosphate (ADP) in citrated human platelet rich plasma (h-PRP)				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair