null

SMILES: OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(O)=O)n1)c1ccc2OCOc2c1

InChI Key: InChIKey=SHCPBSMGQZIVTA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50185460   

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-3 (Homo sapiens (Human))	BDBM50185460 (3-(benzo[d][1,3]dioxol-5-yl)-4-(1-(carboxymethyl)-...) Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(O)=O)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H28N4O7/c31-24(32)12-18(17-4-6-21-22(11-17)37-15-36-21)10-20-13-23(30(29-20)14-25(33)34)35-9-7-19-5-3-16-2-1-8-27-26(16)28-19/h3-6,11,13,18H,1-2,7-10,12,14-15H2,(H,27,28)(H,31,32)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of alphavbeta3 integrin by SPRA				Bioorg Med Chem Lett 16: 3156-61 (2006) Article DOI: 10.1016/j.bmcl.2006.03.045 BindingDB Entry DOI: 10.7270/Q29023CB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50185460 (3-(benzo[d][1,3]dioxol-5-yl)-4-(1-(carboxymethyl)-...) Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(O)=O)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H28N4O7/c31-24(32)12-18(17-4-6-21-22(11-17)37-15-36-21)10-20-13-23(30(29-20)14-25(33)34)35-9-7-19-5-3-16-2-1-8-27-26(16)28-19/h3-6,11,13,18H,1-2,7-10,12,14-15H2,(H,27,28)(H,31,32)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	491	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of alphavbeta6 integrin in HT29 cells				Bioorg Med Chem Lett 16: 3156-61 (2006) Article DOI: 10.1016/j.bmcl.2006.03.045 BindingDB Entry DOI: 10.7270/Q29023CB
					More data for this Ligand-Target Pair