BDBM50127950 3-(2-{6-Methyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)-amino]-2H-pyrazin-1-yl}-acetylamino)-3-(S)-pyridin-3-yl-propionic acid::CHEMBL301392

SMILES: Cc1cnc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccnc1

InChI Key: InChIKey=HVLKUEZLWREEFF-IBGZPJMESA-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 = 50127950   

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))	BDBM50127950 (3-(2-{6-Methyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]n...) Show SMILES Cc1cnc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccnc1 Show InChI InChI=1S/C24H27N7O4/c1-15-11-27-23(28-13-18-7-6-16-4-3-9-26-22(16)29-18)24(35)31(15)14-20(32)30-19(10-21(33)34)17-5-2-8-25-12-17/h2,5-8,11-12,19H,3-4,9-10,13-14H2,1H3,(H,26,29)(H,27,28)(H,30,32)(H,33,34)/t19-/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 alpha V beta3 receptor 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))	BDBM50127950 (3-(2-{6-Methyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]n...) Show SMILES Cc1cnc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccnc1 Show InChI InChI=1S/C24H27N7O4/c1-15-11-27-23(28-13-18-7-6-16-4-3-9-26-22(16)29-18)24(35)31(15)14-20(32)30-19(10-21(33)34)17-5-2-8-25-12-17/h2,5-8,11-12,19H,3-4,9-10,13-14H2,1H3,(H,26,29)(H,27,28)(H,30,32)(H,33,34)/t19-/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