BDBM50153559 3-(2-Methyl-pyrimidin-5-yl)-4-[1-(3-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl-propionyl)-piperidin-4-yl]-butyric acid::CHEMBL186908

SMILES: Cc1ncc(cn1)C(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O

InChI Key: InChIKey=LIFIBSDQAZPDID-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50153559   

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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50153559 (3-(2-Methyl-pyrimidin-5-yl)-4-[1-(3-5,6,7,8-tetrah...) Show SMILES Cc1ncc(cn1)C(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C25H33N5O3/c1-17-27-15-21(16-28-17)20(14-24(32)33)13-18-8-11-30(12-9-18)23(31)7-6-22-5-4-19-3-2-10-26-25(19)29-22/h4-5,15-16,18,20H,2-3,6-14H2,1H3,(H,26,29)(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human vitronectin binding to immobilized Alpha v beta-3				Bioorg Med Chem Lett 14: 5227-32 (2004) Article DOI: 10.1016/j.bmcl.2004.06.061 BindingDB Entry DOI: 10.7270/Q2TH8M5Z
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50153559 (3-(2-Methyl-pyrimidin-5-yl)-4-[1-(3-5,6,7,8-tetrah...) Show SMILES Cc1ncc(cn1)C(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C25H33N5O3/c1-17-27-15-21(16-28-17)20(14-24(32)33)13-18-8-11-30(12-9-18)23(31)7-6-22-5-4-19-3-2-10-26-25(19)29-22/h4-5,15-16,18,20H,2-3,6-14H2,1H3,(H,26,29)(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Antagonist activity at alphavbeta3 integrin receptor (unknown origin) by cell-free ELISA				J Med Chem 57: 6301-15 (2014) Article DOI: 10.1021/jm5000547 BindingDB Entry DOI: 10.7270/Q2NS0XW8
					More data for this Ligand-Target Pair
ITGAV/ITGB5 (Homo sapiens (Human))	BDBM50153559 (3-(2-Methyl-pyrimidin-5-yl)-4-[1-(3-5,6,7,8-tetrah...) Show SMILES Cc1ncc(cn1)C(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C25H33N5O3/c1-17-27-15-21(16-28-17)20(14-24(32)33)13-18-8-11-30(12-9-18)23(31)7-6-22-5-4-19-3-2-10-26-25(19)29-22/h4-5,15-16,18,20H,2-3,6-14H2,1H3,(H,26,29)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Antagonist activity at alphavbeta5 integrin receptor (unknown origin) by cell-free ELISA				J Med Chem 57: 6301-15 (2014) Article DOI: 10.1021/jm5000547 BindingDB Entry DOI: 10.7270/Q2NS0XW8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50153559 (3-(2-Methyl-pyrimidin-5-yl)-4-[1-(3-5,6,7,8-tetrah...) Show SMILES Cc1ncc(cn1)C(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C25H33N5O3/c1-17-27-15-21(16-28-17)20(14-24(32)33)13-18-8-11-30(12-9-18)23(31)7-6-22-5-4-19-3-2-10-26-25(19)29-22/h4-5,15-16,18,20H,2-3,6-14H2,1H3,(H,26,29)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	965	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human Biotinylated Fg binding to immobilized Alpha II beta-3				Bioorg Med Chem Lett 14: 5227-32 (2004) Article DOI: 10.1016/j.bmcl.2004.06.061 BindingDB Entry DOI: 10.7270/Q2TH8M5Z
					More data for this Ligand-Target Pair