Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 411.4 BDBM50497606

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-3 (Homo sapiens (Human))	BDBM50497606 (CHEMBL3356166) Show SMILES COc1ccc(cc1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O4/c1-30-19-12-9-16(10-13-19)20(15-22(28)29)26-21(27)7-3-2-6-18-11-8-17-5-4-14-24-23(17)25-18/h8-13,20H,2-7,14-15H2,1H3,(H,24,25)(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	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-5 (Homo sapiens (Human))	BDBM50497606 (CHEMBL3356166) Show SMILES COc1ccc(cc1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O4/c1-30-19-12-9-16(10-13-19)20(15-22(28)29)26-21(27)7-3-2-6-18-11-8-17-5-4-14-24-23(17)25-18/h8-13,20H,2-7,14-15H2,1H3,(H,24,25)(H,26,27)(H,28,29)	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	50	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-6 (Homo sapiens (Human))	BDBM50497606 (CHEMBL3356166) Show SMILES COc1ccc(cc1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O4/c1-30-19-12-9-16(10-13-19)20(15-22(28)29)26-21(27)7-3-2-6-18-11-8-17-5-4-14-24-23(17)25-18/h8-13,20H,2-7,14-15H2,1H3,(H,24,25)(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	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))	BDBM50497606 (CHEMBL3356166) Show SMILES COc1ccc(cc1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O4/c1-30-19-12-9-16(10-13-19)20(15-22(28)29)26-21(27)7-3-2-6-18-11-8-17-5-4-14-24-23(17)25-18/h8-13,20H,2-7,14-15H2,1H3,(H,24,25)(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	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