Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 406.4 BDBM50497635

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497635 (CHEMBL3356172) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C#N Show InChI InChI=1S/C23H26N4O3/c24-15-16-5-3-6-18(13-16)20(14-22(29)30)27-21(28)9-2-1-8-19-11-10-17-7-4-12-25-23(17)26-19/h3,5-6,10-11,13,20H,1-2,4,7-9,12,14H2,(H,25,26)(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497635 (CHEMBL3356172) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C#N Show InChI InChI=1S/C23H26N4O3/c24-15-16-5-3-6-18(13-16)20(14-22(29)30)27-21(28)9-2-1-8-19-11-10-17-7-4-12-25-23(17)26-19/h3,5-6,10-11,13,20H,1-2,4,7-9,12,14H2,(H,25,26)(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50497635 (CHEMBL3356172) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C#N Show InChI InChI=1S/C23H26N4O3/c24-15-16-5-3-6-18(13-16)20(14-22(29)30)27-21(28)9-2-1-8-19-11-10-17-7-4-12-25-23(17)26-19/h3,5-6,10-11,13,20H,1-2,4,7-9,12,14H2,(H,25,26)(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta6 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM50497635 (CHEMBL3356172) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C#N Show InChI InChI=1S/C23H26N4O3/c24-15-16-5-3-6-18(13-16)20(14-22(29)30)27-21(28)9-2-1-8-19-11-10-17-7-4-12-25-23(17)26-19/h3,5-6,10-11,13,20H,1-2,4,7-9,12,14H2,(H,25,26)(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta8 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair