Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 331.3 BDBM50139220

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50139220 (3-[3-(2-Amino-acetylamino)-phenylsulfanyl]-3-pyrid...) Show SMILES NCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1 Show InChI InChI=1S/C16H17N3O3S/c17-9-15(20)19-12-4-1-5-13(7-12)23-14(8-16(21)22)11-3-2-6-18-10-11/h1-7,10,14H,8-9,17H2,(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Curated by ChEMBL					Assay Description Inhibitory activity against alphaV-beta3 integrin				Bioorg Med Chem Lett 14: 657-61 (2004) BindingDB Entry DOI: 10.7270/Q2RV0N4Q
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50139220 (3-[3-(2-Amino-acetylamino)-phenylsulfanyl]-3-pyrid...) Show SMILES NCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1 Show InChI InChI=1S/C16H17N3O3S/c17-9-15(20)19-12-4-1-5-13(7-12)23-14(8-16(21)22)11-3-2-6-18-10-11/h1-7,10,14H,8-9,17H2,(H,19,20)(H,21,22)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Curated by ChEMBL					Assay Description Inhibitory activity against alpha IIb beta3 integrin				Bioorg Med Chem Lett 14: 657-61 (2004) BindingDB Entry DOI: 10.7270/Q2RV0N4Q
					More data for this Ligand-Target Pair