null

SMILES: CCC(CC)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O

InChI Key: InChIKey=VMDZBJQUXORZLH-UTKZUKDTSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 448863   

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-6 (Homo sapiens (Human))	BDBM448863 (US10696672, Compound 95 | US11634418, Compound 95) Show SMILES CCC(CC)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r| Show InChI InChI=1S/C24H38N4O3/c1-3-18(4-2)23(29)27-21(24(30)31)12-15-28-14-11-17(16-28)7-9-20-10-8-19-6-5-13-25-22(19)26-20/h8,10,17-18,21H,3-7,9,11-16H2,1-2H3,(H,25,26)(H,27,29)(H,30,31)/t17-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22J6GS4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448863 (US10696672, Compound 95 | US11634418, Compound 95) Show SMILES CCC(CC)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r| Show InChI InChI=1S/C24H38N4O3/c1-3-18(4-2)23(29)27-21(24(30)31)12-15-28-14-11-17(16-28)7-9-20-10-8-19-6-5-13-25-22(19)26-20/h8,10,17-18,21H,3-7,9,11-16H2,1-2H3,(H,25,26)(H,27,29)(H,30,31)/t17-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics, Inc. US Patent					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair