null

SMILES: OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=CLKNROZINQMWHM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50497614   

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-V/beta-8 (Homo sapiens (Human))	BDBM50497614 (CHEMBL3356178) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-10-8-15(12-18(17)24)19(13-21(29)30)27-20(28)6-2-1-5-16-9-7-14-4-3-11-25-22(14)26-16/h7-10,12,19H,1-6,11,13H2,(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	200	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
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497614 (CHEMBL3356178) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-10-8-15(12-18(17)24)19(13-21(29)30)27-20(28)6-2-1-5-16-9-7-14-4-3-11-25-22(14)26-16/h7-10,12,19H,1-6,11,13H2,(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	100	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))	BDBM50497614 (CHEMBL3356178) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-10-8-15(12-18(17)24)19(13-21(29)30)27-20(28)6-2-1-5-16-9-7-14-4-3-11-25-22(14)26-16/h7-10,12,19H,1-6,11,13H2,(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 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-3 (Homo sapiens (Human))	BDBM50497614 (CHEMBL3356178) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-10-8-15(12-18(17)24)19(13-21(29)30)27-20(28)6-2-1-5-16-9-7-14-4-3-11-25-22(14)26-16/h7-10,12,19H,1-6,11,13H2,(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	50	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