null

SMILES: COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)C(F)F)C(O)=O

InChI Key: InChIKey=LUAINELMEBRPFK-IBGZPJMESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 465234   

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
alphavbeta6 inhibitionrange (Homo sapiens (Human))	BDBM465234 (US10793564, Compound 23 | US11419869, Compound 23 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)C(F)F)C(O)=O Show InChI InChI=1S/C24H34F2N6O3/c1-35-14-13-32(11-3-2-6-18-8-7-17-5-4-10-27-23(17)30-18)12-9-19(24(33)34)31-21-15-20(22(25)26)28-16-29-21/h7-8,15-16,19,22H,2-6,9-14H2,1H3,(H,27,30)(H,33,34)(H,28,29,31)/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									Citation and Details BindingDB Entry DOI: 10.7270/Q2HD80SR
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465234 (US10793564, Compound 23 | US11419869, Compound 23 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)C(F)F)C(O)=O Show InChI InChI=1S/C24H34F2N6O3/c1-35-14-13-32(11-3-2-6-18-8-7-17-5-4-10-27-23(17)30-18)12-9-19(24(33)34)31-21-15-20(22(25)26)28-16-29-21/h7-8,15-16,19,22H,2-6,9-14H2,1H3,(H,27,30)(H,33,34)(H,28,29,31)/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))	BDBM465234 (US10793564, Compound 23 | US11419869, Compound 23 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)C(F)F)C(O)=O Show InChI InChI=1S/C24H34F2N6O3/c1-35-14-13-32(11-3-2-6-18-8-7-17-5-4-10-27-23(17)30-18)12-9-19(24(33)34)31-21-15-20(22(25)26)28-16-29-21/h7-8,15-16,19,22H,2-6,9-14H2,1H3,(H,27,30)(H,33,34)(H,28,29,31)/t19-/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))	BDBM465234 (US10793564, Compound 23 | US11419869, Compound 23 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)C(F)F)C(O)=O Show InChI InChI=1S/C24H34F2N6O3/c1-35-14-13-32(11-3-2-6-18-8-7-17-5-4-10-27-23(17)30-18)12-9-19(24(33)34)31-21-15-20(22(25)26)28-16-29-21/h7-8,15-16,19,22H,2-6,9-14H2,1H3,(H,27,30)(H,33,34)(H,28,29,31)/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/Q2HD80MH
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM465234 (US10793564, Compound 23 | US11419869, Compound 23 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)C(F)F)C(O)=O Show InChI InChI=1S/C24H34F2N6O3/c1-35-14-13-32(11-3-2-6-18-8-7-17-5-4-10-27-23(17)30-18)12-9-19(24(33)34)31-21-15-20(22(25)26)28-16-29-21/h7-8,15-16,19,22H,2-6,9-14H2,1H3,(H,27,30)(H,33,34)(H,28,29,31)/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