null

SMILES: COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cccnc12)C(O)=O

InChI Key: InChIKey=SUVFZKPMSXIDLY-QFIPXVFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 465227   

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))	BDBM465227 (US10793564, Compound 16 | US11419869, Compound 16 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cccnc12)C(O)=O Show InChI InChI=1S/C26H35N7O3/c1-36-17-16-33(14-3-2-7-20-10-9-19-6-4-13-28-24(19)31-20)15-11-22(26(34)35)32-25-23-21(29-18-30-25)8-5-12-27-23/h5,8-10,12,18,22H,2-4,6-7,11,13-17H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/t22-/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-V/beta-6 (Homo sapiens (Human))	BDBM465227 (US10793564, Compound 16 | US11419869, Compound 16 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cccnc12)C(O)=O Show InChI InChI=1S/C26H35N7O3/c1-36-17-16-33(14-3-2-7-20-10-9-19-6-4-13-28-24(19)31-20)15-11-22(26(34)35)32-25-23-21(29-18-30-25)8-5-12-27-23/h5,8-10,12,18,22H,2-4,6-7,11,13-17H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/t22-/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))	BDBM465227 (US10793564, Compound 16 | US11419869, Compound 16 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cccnc12)C(O)=O Show InChI InChI=1S/C26H35N7O3/c1-36-17-16-33(14-3-2-7-20-10-9-19-6-4-13-28-24(19)31-20)15-11-22(26(34)35)32-25-23-21(29-18-30-25)8-5-12-27-23/h5,8-10,12,18,22H,2-4,6-7,11,13-17H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/t22-/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
Integrin alpha-5/beta-6 (Homo sapiens (Human))	BDBM465227 (US10793564, Compound 16 | US11419869, Compound 16 ...) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cccnc12)C(O)=O Show InChI InChI=1S/C26H35N7O3/c1-36-17-16-33(14-3-2-7-20-10-9-19-6-4-13-28-24(19)31-20)15-11-22(26(34)35)32-25-23-21(29-18-30-25)8-5-12-27-23/h5,8-10,12,18,22H,2-4,6-7,11,13-17H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/t22-/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