null

SMILES: OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1ccccc1

InChI Key: InChIKey=BBYMIROXFBEIED-SKCUWOTOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 448851   

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))	BDBM448851 (US10696672, Compound 83 | US11634418, Compound 83) Show SMILES OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C31H36N4O3/c36-30(26-9-4-8-25(20-26)23-6-2-1-3-7-23)34-28(31(37)38)16-19-35-18-15-22(21-35)11-13-27-14-12-24-10-5-17-32-29(24)33-27/h1-4,6-9,12,14,20,22,28H,5,10-11,13,15-19,21H2,(H,32,33)(H,34,36)(H,37,38)/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))	BDBM448851 (US10696672, Compound 83 | US11634418, Compound 83) Show SMILES OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C31H36N4O3/c36-30(26-9-4-8-25(20-26)23-6-2-1-3-7-23)34-28(31(37)38)16-19-35-18-15-22(21-35)11-13-27-14-12-24-10-5-17-32-29(24)33-27/h1-4,6-9,12,14,20,22,28H,5,10-11,13,15-19,21H2,(H,32,33)(H,34,36)(H,37,38)/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