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SMILES: COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2c(Cl)cccc12)C(O)=O

InChI Key: InChIKey=QHRASPFOEZEMQO-QHCPKHFHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 465249   

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))	BDBM465249 (US10793564, Compound 38 | US11419869, Compound 38) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2c(Cl)cccc12)C(O)=O Show InChI InChI=1S/C27H35ClN6O3/c1-37-17-16-34(14-3-2-7-20-11-10-19-6-5-13-29-25(19)32-20)15-12-23(27(35)36)33-26-21-8-4-9-22(28)24(21)30-18-31-26/h4,8-11,18,23H,2-3,5-7,12-17H2,1H3,(H,29,32)(H,35,36)(H,30,31,33)/t23-/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))	US11560376, Compound 38 (US10793564, Compound 38 | US11419869, Compound 38) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2c(Cl)cccc12)C(O)=O Show InChI InChI=1S/C27H35ClN6O3/c1-37-17-16-34(14-3-2-7-20-11-10-19-6-5-13-29-25(19)32-20)15-12-23(27(35)36)33-26-21-8-4-9-22(28)24(21)30-18-31-26/h4,8-11,18,23H,2-3,5-7,12-17H2,1H3,(H,29,32)(H,35,36)(H,30,31,33)/t23-/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))	BDBM465249 (US10793564, Compound 38 | US11419869, Compound 38) Show SMILES COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2c(Cl)cccc12)C(O)=O Show InChI InChI=1S/C27H35ClN6O3/c1-37-17-16-34(14-3-2-7-20-11-10-19-6-5-13-29-25(19)32-20)15-12-23(27(35)36)33-26-21-8-4-9-22(28)24(21)30-18-31-26/h4,8-11,18,23H,2-3,5-7,12-17H2,1H3,(H,29,32)(H,35,36)(H,30,31,33)/t23-/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 BindingDB Entry DOI: 10.7270/Q2HH6P8K
					More data for this Ligand-Target Pair