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SMILES: Cc1cccc(c1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1

InChI Key: InChIKey=LEBUVLVDRAIZDW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50497629   

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-5 (Homo sapiens (Human))	BDBM50497629 (CHEMBL3356162) Show SMILES Cc1cccc(c1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O3/c1-16-6-4-7-18(14-16)20(15-22(28)29)26-21(27)10-3-2-9-19-12-11-17-8-5-13-24-23(17)25-19/h4,6-7,11-12,14,20H,2-3,5,8-10,13,15H2,1H3,(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))	BDBM50497629 (CHEMBL3356162) Show SMILES Cc1cccc(c1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O3/c1-16-6-4-7-18(14-16)20(15-22(28)29)26-21(27)10-3-2-9-19-12-11-17-8-5-13-24-23(17)25-19/h4,6-7,11-12,14,20H,2-3,5,8-10,13,15H2,1H3,(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	398	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))	BDBM50497629 (CHEMBL3356162) Show SMILES Cc1cccc(c1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O3/c1-16-6-4-7-18(14-16)20(15-22(28)29)26-21(27)10-3-2-9-19-12-11-17-8-5-13-24-23(17)25-19/h4,6-7,11-12,14,20H,2-3,5,8-10,13,15H2,1H3,(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	158	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-8 (Homo sapiens (Human))	BDBM50497629 (CHEMBL3356162) Show SMILES Cc1cccc(c1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O3/c1-16-6-4-7-18(14-16)20(15-22(28)29)26-21(27)10-3-2-9-19-12-11-17-8-5-13-24-23(17)25-19/h4,6-7,11-12,14,20H,2-3,5,8-10,13,15H2,1H3,(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	631	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