null

SMILES: OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccn1)Nc1ncnc2ccccc12

InChI Key: InChIKey=ZMYPVKYGPRYSTI-MHZLTWQESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 465260   

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))	BDBM465260 (US10793564, Compound 49 | US11419869, Compound 49 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccn1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C31H37N7O3/c39-31(40)27(37-30-25-10-1-2-11-26(25)34-22-35-30)15-19-38(20-21-41-28-12-3-5-16-32-28)18-6-4-9-24-14-13-23-8-7-17-33-29(23)36-24/h1-3,5,10-14,16,22,27H,4,6-9,15,17-21H2,(H,33,36)(H,39,40)(H,34,35,37)/t27-/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))	BDBM465260 (US10793564, Compound 49 | US11419869, Compound 49 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccn1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C31H37N7O3/c39-31(40)27(37-30-25-10-1-2-11-26(25)34-22-35-30)15-19-38(20-21-41-28-12-3-5-16-32-28)18-6-4-9-24-14-13-23-8-7-17-33-29(23)36-24/h1-3,5,10-14,16,22,27H,4,6-9,15,17-21H2,(H,33,36)(H,39,40)(H,34,35,37)/t27-/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))	BDBM465260 (US10793564, Compound 49 | US11419869, Compound 49 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccn1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C31H37N7O3/c39-31(40)27(37-30-25-10-1-2-11-26(25)34-22-35-30)15-19-38(20-21-41-28-12-3-5-16-32-28)18-6-4-9-24-14-13-23-8-7-17-33-29(23)36-24/h1-3,5,10-14,16,22,27H,4,6-9,15,17-21H2,(H,33,36)(H,39,40)(H,34,35,37)/t27-/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))	BDBM465260 (US10793564, Compound 49 | US11419869, Compound 49 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccn1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C31H37N7O3/c39-31(40)27(37-30-25-10-1-2-11-26(25)34-22-35-30)15-19-38(20-21-41-28-12-3-5-16-32-28)18-6-4-9-24-14-13-23-8-7-17-33-29(23)36-24/h1-3,5,10-14,16,22,27H,4,6-9,15,17-21H2,(H,33,36)(H,39,40)(H,34,35,37)/t27-/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))	BDBM465260 (US10793564, Compound 49 | US11419869, Compound 49 ...) Show SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccn1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C31H37N7O3/c39-31(40)27(37-30-25-10-1-2-11-26(25)34-22-35-30)15-19-38(20-21-41-28-12-3-5-16-32-28)18-6-4-9-24-14-13-23-8-7-17-33-29(23)36-24/h1-3,5,10-14,16,22,27H,4,6-9,15,17-21H2,(H,33,36)(H,39,40)(H,34,35,37)/t27-/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