BDBM50155807 3-(1-Methyl-1,2,3,4-tetrahydro-quinolin-3-yl)-4-[1-(3-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl-propionyl)-piperidin-4-yl]-butyric acid::CHEMBL362114

SMILES: CN1CC(Cc2ccccc12)C(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O

InChI Key: InChIKey=JJAXPFWZGVIPSO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50155807   

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))	BDBM50155807 (3-(1-Methyl-1,2,3,4-tetrahydro-quinolin-3-yl)-4-[1...) Show SMILES CN1CC(Cc2ccccc12)C(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C30H40N4O3/c1-33-20-25(18-23-5-2-3-7-27(23)33)24(19-29(36)37)17-21-12-15-34(16-13-21)28(35)11-10-26-9-8-22-6-4-14-31-30(22)32-26/h2-3,5,7-9,21,24-25H,4,6,10-20H2,1H3,(H,31,32)(H,36,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin				Bioorg Med Chem Lett 14: 5937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.08.067 BindingDB Entry DOI: 10.7270/Q2DZ07S6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155807 (3-(1-Methyl-1,2,3,4-tetrahydro-quinolin-3-yl)-4-[1...) Show SMILES CN1CC(Cc2ccccc12)C(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C30H40N4O3/c1-33-20-25(18-23-5-2-3-7-27(23)33)24(19-29(36)37)17-21-12-15-34(16-13-21)28(35)11-10-26-9-8-22-6-4-14-31-30(22)32-26/h2-3,5,7-9,21,24-25H,4,6,10-20H2,1H3,(H,31,32)(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibitory concentration for biotinylated fibrinogen binding to immobilized alpha IIb beta3 integrin				Bioorg Med Chem Lett 14: 5937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.08.067 BindingDB Entry DOI: 10.7270/Q2DZ07S6
					More data for this Ligand-Target Pair
ITGAV/ITGB5 (Homo sapiens (Human))	BDBM50155807 (3-(1-Methyl-1,2,3,4-tetrahydro-quinolin-3-yl)-4-[1...) Show SMILES CN1CC(Cc2ccccc12)C(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C30H40N4O3/c1-33-20-25(18-23-5-2-3-7-27(23)33)24(19-29(36)37)17-21-12-15-34(16-13-21)28(35)11-10-26-9-8-22-6-4-14-31-30(22)32-26/h2-3,5,7-9,21,24-25H,4,6,10-20H2,1H3,(H,31,32)(H,36,37)	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	180	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin				Bioorg Med Chem Lett 14: 5937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.08.067 BindingDB Entry DOI: 10.7270/Q2DZ07S6
					More data for this Ligand-Target Pair