BDBM50125297 (S)-3-(3'-Guanidino-biphenyl-4-yl)-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid::CHEMBL10839

SMILES: [#6]-c1cc(-[#6])c(c(-[#6])c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1ccc(cc1)-c1cccc(c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=JFDLROYLPHDXTE-QFIPXVFZSA-N

Data: 2 KI

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 = 50125297   

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))	BDBM50125297 ((S)-3-(3'-Guanidino-biphenyl-4-yl)-2-(2,4,6-trimet...) Show SMILES [#6]-c1cc(-[#6])c(c(-[#6])c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1ccc(cc1)-c1cccc(c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C25H28N4O4S/c1-15-11-16(2)23(17(3)12-15)34(32,33)29-22(24(30)31)13-18-7-9-19(10-8-18)20-5-4-6-21(14-20)28-25(26)27/h4-12,14,22,29H,13H2,1-3H3,(H,30,31)(H4,26,27,28)/t22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Binding affinity towards vitronectin receptor (alpha V-beta3) was determined				Bioorg Med Chem Lett 13: 1071-4 (2003) BindingDB Entry DOI: 10.7270/Q2S46T44
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50125297 ((S)-3-(3'-Guanidino-biphenyl-4-yl)-2-(2,4,6-trimet...) Show SMILES [#6]-c1cc(-[#6])c(c(-[#6])c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1ccc(cc1)-c1cccc(c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C25H28N4O4S/c1-15-11-16(2)23(17(3)12-15)34(32,33)29-22(24(30)31)13-18-7-9-19(10-8-18)20-5-4-6-21(14-20)28-25(26)27/h4-12,14,22,29H,13H2,1-3H3,(H,30,31)(H4,26,27,28)/t22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Healthcare AG Curated by ChEMBL					Assay Description Binding affinity to integrin alphavbeta3 receptor				Bioorg Med Chem Lett 17: 6151-4 (2007) Article DOI: 10.1016/j.bmcl.2007.09.039 BindingDB Entry DOI: 10.7270/Q2KS6R8S
					More data for this Ligand-Target Pair