null

SMILES: OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOCC(F)(F)F)Nc1ncnc2ccccc12

InChI Key: InChIKey=ZVHVVZKZBSAJQM-DEOSSOPVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 465250   

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-5/beta-6 (Homo sapiens (Human))	BDBM465250 (US10793564, Compound 39 | US11419869, Compound 39) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOCC(F)(F)F)Nc1ncnc2ccccc12 Show InChI InChI=1S/C28H35F3N6O3/c29-28(30,31)18-40-17-16-37(14-4-3-7-21-11-10-20-6-5-13-32-25(20)35-21)15-12-24(27(38)39)36-26-22-8-1-2-9-23(22)33-19-34-26/h1-2,8-11,19,24H,3-7,12-18H2,(H,32,35)(H,38,39)(H,33,34,36)/t24-/m0/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 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				US Patent US10793564 (2020) BindingDB Entry DOI: 10.7270/Q2J969FH
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	US11560376, Compound 39 (US10793564, Compound 39 | US11419869, Compound 39) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOCC(F)(F)F)Nc1ncnc2ccccc12 Show InChI InChI=1S/C28H35F3N6O3/c29-28(30,31)18-40-17-16-37(14-4-3-7-21-11-10-20-6-5-13-32-25(20)35-21)15-12-24(27(38)39)36-26-22-8-1-2-9-23(22)33-19-34-26/h1-2,8-11,19,24H,3-7,12-18H2,(H,32,35)(H,38,39)(H,33,34,36)/t24-/m0/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
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465250 (US10793564, Compound 39 | US11419869, Compound 39) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOCC(F)(F)F)Nc1ncnc2ccccc12 Show InChI InChI=1S/C28H35F3N6O3/c29-28(30,31)18-40-17-16-37(14-4-3-7-21-11-10-20-6-5-13-32-25(20)35-21)15-12-24(27(38)39)36-26-22-8-1-2-9-23(22)33-19-34-26/h1-2,8-11,19,24H,3-7,12-18H2,(H,32,35)(H,38,39)(H,33,34,36)/t24-/m0/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/Q2HH6P8K
					More data for this Ligand-Target Pair