BDBM50127956 (S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)-amino]-2H-pyridin-1-yl}-acetylamino)-3-(3-fluoro-phenyl)-propionic acid::CHEMBL415956

SMILES: OC(=O)C[C@H](NC(=O)Cn1c(ccc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccc(F)c1

InChI Key: InChIKey=GSUDEEPNSDSFMO-QHCPKHFHSA-N

Data: 2 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 2 hits for monomerid = 50127956   

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))	BDBM50127956 ((S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahyd...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ccc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccc(F)c1 Show InChI InChI=1S/C28H30FN5O4/c29-20-5-1-3-19(13-20)23(14-26(36)37)33-25(35)16-34-24(17-6-7-17)11-10-22(28(34)38)31-15-21-9-8-18-4-2-12-30-27(18)32-21/h1,3,5,8-11,13,17,23,31H,2,4,6-7,12,14-16H2,(H,30,32)(H,33,35)(H,36,37)/t23-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127956 ((S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahyd...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ccc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccc(F)c1 Show InChI InChI=1S/C28H30FN5O4/c29-20-5-1-3-19(13-20)23(14-26(36)37)33-25(35)16-34-24(17-6-7-17)11-10-22(28(34)38)31-15-21-9-8-18-4-2-12-30-27(18)32-21/h1,3,5,8-11,13,17,23,31H,2,4,6-7,12,14-16H2,(H,30,32)(H,33,35)(H,36,37)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the alpha IIb beta3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platel...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair