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SMILES: Cn1nc(-c2ccccc2)c2cccc(C(=O)N[C@@H](CCN3CC[C@@H](CCc4ccc5CCCNc5n4)C3)C(O)=O)c12

InChI Key: InChIKey=YVMKLIYDKIFCMR-DFHRPNOPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 448850   

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-V/beta-6 (Homo sapiens (Human))	BDBM448850 (US10696672, Compound 82 | US11634418, Compound 82) Show SMILES Cn1nc(-c2ccccc2)c2cccc(C(=O)N[C@@H](CCN3CC[C@@H](CCc4ccc5CCCNc5n4)C3)C(O)=O)c12 |r| Show InChI InChI=1S/C33H38N6O3/c1-38-30-26(29(37-38)23-7-3-2-4-8-23)10-5-11-27(30)32(40)36-28(33(41)42)17-20-39-19-16-22(21-39)12-14-25-15-13-24-9-6-18-34-31(24)35-25/h2-5,7-8,10-11,13,15,22,28H,6,9,12,14,16-21H2,1H3,(H,34,35)(H,36,40)(H,41,42)/t22-,28+/m1/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/Q22J6GS4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM448850 (US10696672, Compound 82 | US11634418, Compound 82) Show SMILES Cn1nc(-c2ccccc2)c2cccc(C(=O)N[C@@H](CCN3CC[C@@H](CCc4ccc5CCCNc5n4)C3)C(O)=O)c12 |r| Show InChI InChI=1S/C33H38N6O3/c1-38-30-26(29(37-38)23-7-3-2-4-8-23)10-5-11-27(30)32(40)36-28(33(41)42)17-20-39-19-16-22(21-39)12-14-25-15-13-24-9-6-18-34-31(24)35-25/h2-5,7-8,10-11,13,15,22,28H,6,9,12,14,16-21H2,1H3,(H,34,35)(H,36,40)(H,41,42)/t22-,28+/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 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was rem...				US Patent US10696672 (2020) BindingDB Entry DOI: 10.7270/Q2TT4V06
					More data for this Ligand-Target Pair