null

SMILES: OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=FXDNOSCPUWVWCC-TUAABQIMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50138309   

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
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM50138309 ((S)-2-Benzenesulfonyl-3-({8-[(1H-imidazol-2-ylamin...) Show SMILES OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1ccccc1 |wU:3.2,t:8,(18.08,-.28,;16.75,.49,;16.75,2.03,;15.41,-.27,;14.08,.51,;12.73,-.27,;11.39,.51,;11.41,2.05,;10.06,-.26,;9.9,-1.78,;8.39,-2.09,;7.63,-.76,;8.66,.37,;6.85,-2.08,;5.33,-2.08,;4.56,-.75,;3.02,-.73,;2.25,.6,;.71,.6,;-.2,1.86,;-1.68,1.38,;-1.68,-.16,;-.2,-.64,;5.33,.58,;6.86,.58,;15.39,-1.81,;14.06,-2.58,;16.74,-2.6,;15.39,-3.35,;16.72,-4.12,;16.72,-5.67,;15.37,-6.44,;14.04,-5.66,;14.04,-4.12,)| Show InChI InChI=1S/C22H27N5O6S/c28-19(25-14-18(20(29)30)34(31,32)16-4-2-1-3-5-16)17-12-22(33-27-17)8-6-15(7-9-22)13-26-21-23-10-11-24-21/h1-5,10-11,15,18H,6-9,12-14H2,(H,25,28)(H,29,30)(H2,23,24,26)/t15?,18-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50138309 ((S)-2-Benzenesulfonyl-3-({8-[(1H-imidazol-2-ylamin...) Show SMILES OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1ccccc1 |wU:3.2,t:8,(18.08,-.28,;16.75,.49,;16.75,2.03,;15.41,-.27,;14.08,.51,;12.73,-.27,;11.39,.51,;11.41,2.05,;10.06,-.26,;9.9,-1.78,;8.39,-2.09,;7.63,-.76,;8.66,.37,;6.85,-2.08,;5.33,-2.08,;4.56,-.75,;3.02,-.73,;2.25,.6,;.71,.6,;-.2,1.86,;-1.68,1.38,;-1.68,-.16,;-.2,-.64,;5.33,.58,;6.86,.58,;15.39,-1.81,;14.06,-2.58,;16.74,-2.6,;15.39,-3.35,;16.72,-4.12,;16.72,-5.67,;15.37,-6.44,;14.04,-5.66,;14.04,-4.12,)| Show InChI InChI=1S/C22H27N5O6S/c28-19(25-14-18(20(29)30)34(31,32)16-4-2-1-3-5-16)17-12-22(33-27-17)8-6-15(7-9-22)13-26-21-23-10-11-24-21/h1-5,10-11,15,18H,6-9,12-14H2,(H,25,28)(H,29,30)(H2,23,24,26)/t15?,18-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair