BDBM50143849 5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spiro[4.5]dec-8-yl]-5-oxo-pentanoic acid::CHEMBL64592

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

InChI Key: InChIKey=LGMJTDJBKYJNMX-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50143849   

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))	BDBM50143849 (5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50143849 (5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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))	BDBM50143849 (5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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))	BDBM50143849 (5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	464	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 4 ug/mL collagen 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))	BDBM50143849 (5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of citrated human platelet (h-PRP) aggregation induced by 4 ug/mL collagen				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))	BDBM50143849 (5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	168	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))	BDBM50143849 (5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	368	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))	BDBM50143849 (5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...) Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	123	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