BDBM50127948 (S)-3-(2-{5-Chloro-6-cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)-amino]-2H-pyrazin-1-yl}-acetylamino)-3-(3-fluoro-phenyl)-propionic acid::CHEMBL299110

SMILES: OC(=O)C[C@H](NC(=O)Cn1c(C2CC2)c(Cl)nc(NCc2ccc3CCCNc3n2)c1=O)c1cccc(F)c1

InChI Key: InChIKey=FRCHUTQNZCVLPJ-FQEVSTJZSA-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 = 50127948   

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))	BDBM50127948 ((S)-3-(2-{5-Chloro-6-cyclopropyl-2-oxo-3-[(5,6,7,8...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(C2CC2)c(Cl)nc(NCc2ccc3CCCNc3n2)c1=O)c1cccc(F)c1 Show InChI InChI=1S/C27H28ClFN6O4/c28-24-23(15-6-7-15)35(14-21(36)33-20(12-22(37)38)17-3-1-5-18(29)11-17)27(39)26(34-24)31-13-19-9-8-16-4-2-10-30-25(16)32-19/h1,3,5,8-9,11,15,20H,2,4,6-7,10,12-14H2,(H,30,32)(H,31,34)(H,33,36)(H,37,38)/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	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))	BDBM50127948 ((S)-3-(2-{5-Chloro-6-cyclopropyl-2-oxo-3-[(5,6,7,8...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(C2CC2)c(Cl)nc(NCc2ccc3CCCNc3n2)c1=O)c1cccc(F)c1 Show InChI InChI=1S/C27H28ClFN6O4/c28-24-23(15-6-7-15)35(14-21(36)33-20(12-22(37)38)17-3-1-5-18(29)11-17)27(39)26(34-24)31-13-19-9-8-16-4-2-10-30-25(16)32-19/h1,3,5,8-9,11,15,20H,2,4,6-7,10,12-14H2,(H,30,32)(H,31,34)(H,33,36)(H,37,38)/t20-/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 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