null

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

InChI Key: InChIKey=WTXPSZFZSMBHDG-DEOSSOPVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 465241   

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))	BDBM465241 (US10793564, Compound 30 | US11419869, Compound 30 ...) Show SMILES OC(=O)[C@H](CCN(CCCF)CCCCc1ccc2CCCNc2n1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C27H35FN6O2/c28-14-6-17-34(16-4-3-8-21-12-11-20-7-5-15-29-25(20)32-21)18-13-24(27(35)36)33-26-22-9-1-2-10-23(22)30-19-31-26/h1-2,9-12,19,24H,3-8,13-18H2,(H,29,32)(H,35,36)(H,30,31,33)/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
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))	BDBM465241 (US10793564, Compound 30 | US11419869, Compound 30 ...) Show SMILES OC(=O)[C@H](CCN(CCCF)CCCCc1ccc2CCCNc2n1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C27H35FN6O2/c28-14-6-17-34(16-4-3-8-21-12-11-20-7-5-15-29-25(20)32-21)18-13-24(27(35)36)33-26-22-9-1-2-10-23(22)30-19-31-26/h1-2,9-12,19,24H,3-8,13-18H2,(H,29,32)(H,35,36)(H,30,31,33)/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))	BDBM465241 (US10793564, Compound 30 | US11419869, Compound 30 ...) Show SMILES OC(=O)[C@H](CCN(CCCF)CCCCc1ccc2CCCNc2n1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C27H35FN6O2/c28-14-6-17-34(16-4-3-8-21-12-11-20-7-5-15-29-25(20)32-21)18-13-24(27(35)36)33-26-22-9-1-2-10-23(22)30-19-31-26/h1-2,9-12,19,24H,3-8,13-18H2,(H,29,32)(H,35,36)(H,30,31,33)/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))	BDBM465241 (US10793564, Compound 30 | US11419869, Compound 30 ...) Show SMILES OC(=O)[C@H](CCN(CCCF)CCCCc1ccc2CCCNc2n1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C27H35FN6O2/c28-14-6-17-34(16-4-3-8-21-12-11-20-7-5-15-29-25(20)32-21)18-13-24(27(35)36)33-26-22-9-1-2-10-23(22)30-19-31-26/h1-2,9-12,19,24H,3-8,13-18H2,(H,29,32)(H,35,36)(H,30,31,33)/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
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))	BDBM465241 (US10793564, Compound 30 | US11419869, Compound 30 ...) Show SMILES OC(=O)[C@H](CCN(CCCF)CCCCc1ccc2CCCNc2n1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C27H35FN6O2/c28-14-6-17-34(16-4-3-8-21-12-11-20-7-5-15-29-25(20)32-21)18-13-24(27(35)36)33-26-22-9-1-2-10-23(22)30-19-31-26/h1-2,9-12,19,24H,3-8,13-18H2,(H,29,32)(H,35,36)(H,30,31,33)/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
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