null

SMILES: COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccnc(n1)C(F)(F)F)C(O)=O

InChI Key: InChIKey=DRPFMHBSKICVQX-IBGZPJMESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 465235   

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))	BDBM465235 (US10793564, Compound 24 | US11419869, Compound 24 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccnc(n1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C24H33F3N6O3/c1-36-16-15-33(13-3-2-6-18-8-7-17-5-4-11-28-21(17)30-18)14-10-19(22(34)35)31-20-9-12-29-23(32-20)24(25,26)27/h7-9,12,19H,2-6,10-11,13-16H2,1H3,(H,28,30)(H,34,35)(H,29,31,32)/t19-/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))	BDBM465235 (US10793564, Compound 24 | US11419869, Compound 24 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccnc(n1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C24H33F3N6O3/c1-36-16-15-33(13-3-2-6-18-8-7-17-5-4-11-28-21(17)30-18)14-10-19(22(34)35)31-20-9-12-29-23(32-20)24(25,26)27/h7-9,12,19H,2-6,10-11,13-16H2,1H3,(H,28,30)(H,34,35)(H,29,31,32)/t19-/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
TBA					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				Citation and Details
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465235 (US10793564, Compound 24 | US11419869, Compound 24 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccnc(n1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C24H33F3N6O3/c1-36-16-15-33(13-3-2-6-18-8-7-17-5-4-11-28-21(17)30-18)14-10-19(22(34)35)31-20-9-12-29-23(32-20)24(25,26)27/h7-9,12,19H,2-6,10-11,13-16H2,1H3,(H,28,30)(H,34,35)(H,29,31,32)/t19-/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
TBA					Assay Description Microplates were coated with recombinant human integrin αvβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HH6P8K
					More data for this Ligand-Target Pair