null

SMILES: CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(Br)cn1)C(O)=O

InChI Key: InChIKey=RCWXXFPGMPXGJT-UTKZUKDTSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 465281   

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))	BDBM465281 (US10793564, Compound 70 | US11419869, Compound 70 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(Br)cn1)C(O)=O Show InChI InChI=1S/C24H35BrN6O3/c1-17(34-2)16-31(13-10-21(23(32)33)30-24-27-14-19(25)15-28-24)12-4-3-7-20-9-8-18-6-5-11-26-22(18)29-20/h8-9,14-15,17,21H,3-7,10-13,16H2,1-2H3,(H,26,29)(H,32,33)(H,27,28,30)/t17-,21+/m1/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))	BDBM465281 (US10793564, Compound 70 | US11419869, Compound 70 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(Br)cn1)C(O)=O Show InChI InChI=1S/C24H35BrN6O3/c1-17(34-2)16-31(13-10-21(23(32)33)30-24-27-14-19(25)15-28-24)12-4-3-7-20-9-8-18-6-5-11-26-22(18)29-20/h8-9,14-15,17,21H,3-7,10-13,16H2,1-2H3,(H,26,29)(H,32,33)(H,27,28,30)/t17-,21+/m1/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))	BDBM465281 (US10793564, Compound 70 | US11419869, Compound 70 ...) Show SMILES CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(Br)cn1)C(O)=O Show InChI InChI=1S/C24H35BrN6O3/c1-17(34-2)16-31(13-10-21(23(32)33)30-24-27-14-19(25)15-28-24)12-4-3-7-20-9-8-18-6-5-11-26-22(18)29-20/h8-9,14-15,17,21H,3-7,10-13,16H2,1-2H3,(H,26,29)(H,32,33)(H,27,28,30)/t17-,21+/m1/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